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- PDB-7mk5: Crystal structure of Escherichia coli ClpP covalently inhibited b... -

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Basic information

Entry
Database: PDB / ID: 7mk5
TitleCrystal structure of Escherichia coli ClpP covalently inhibited by clipibicyclene
ComponentsATP-dependent Clp protease proteolytic subunit
KeywordsHYDROLASE/HYDROLASE inhibitor / Inhibitor / Complex / Protease / HYDROLASE / HYDROLASE-HYDROLASE inhibitor complex
Function / homology
Function and homology information


HslUV protease complex / endopeptidase Clp complex / endopeptidase Clp / positive regulation of programmed cell death / response to temperature stimulus / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / serine-type peptidase activity / proteasomal protein catabolic process / response to radiation ...HslUV protease complex / endopeptidase Clp complex / endopeptidase Clp / positive regulation of programmed cell death / response to temperature stimulus / ATP-dependent peptidase activity / protein quality control for misfolded or incompletely synthesized proteins / serine-type peptidase activity / proteasomal protein catabolic process / response to radiation / ATPase binding / response to heat / serine-type endopeptidase activity / proteolysis / membrane / identical protein binding / cytosol
Similarity search - Function
ClpP, Ser active site / Endopeptidase Clp serine active site. / ClpP, histidine active site / Endopeptidase Clp histidine active site. / ATP-dependent Clp protease proteolytic subunit / Clp protease proteolytic subunit /Translocation-enhancing protein TepA / Clp protease / ClpP/crotonase-like domain superfamily
Similarity search - Domain/homology
ACETATE ION / Chem-ZGV / ATP-dependent Clp protease proteolytic subunit
Similarity search - Component
Biological speciesEscherichia coli K-12 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.95 Å
AuthorsCulp, E.J. / Sychantha, D. / Hobson, C. / Pawlowski, A.J. / Prehna, G. / Wright, G.D.
Funding support Canada, 1items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR)FRN-148463 Canada
CitationJournal: Nat Microbiol / Year: 2022
Title: ClpP inhibitors are produced by a widespread family of bacterial gene clusters.
Authors: Culp, E.J. / Sychantha, D. / Hobson, C. / Pawlowski, A.C. / Prehna, G. / Wright, G.D.
History
DepositionApr 21, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 2, 2022Provider: repository / Type: Initial release
Revision 1.1Nov 16, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: ATP-dependent Clp protease proteolytic subunit
B: ATP-dependent Clp protease proteolytic subunit
C: ATP-dependent Clp protease proteolytic subunit
D: ATP-dependent Clp protease proteolytic subunit
E: ATP-dependent Clp protease proteolytic subunit
F: ATP-dependent Clp protease proteolytic subunit
G: ATP-dependent Clp protease proteolytic subunit
H: ATP-dependent Clp protease proteolytic subunit
I: ATP-dependent Clp protease proteolytic subunit
J: ATP-dependent Clp protease proteolytic subunit
K: ATP-dependent Clp protease proteolytic subunit
L: ATP-dependent Clp protease proteolytic subunit
M: ATP-dependent Clp protease proteolytic subunit
N: ATP-dependent Clp protease proteolytic subunit
O: ATP-dependent Clp protease proteolytic subunit
P: ATP-dependent Clp protease proteolytic subunit
Q: ATP-dependent Clp protease proteolytic subunit
R: ATP-dependent Clp protease proteolytic subunit
S: ATP-dependent Clp protease proteolytic subunit
T: ATP-dependent Clp protease proteolytic subunit
U: ATP-dependent Clp protease proteolytic subunit
V: ATP-dependent Clp protease proteolytic subunit
W: ATP-dependent Clp protease proteolytic subunit
X: ATP-dependent Clp protease proteolytic subunit
Y: ATP-dependent Clp protease proteolytic subunit
Z: ATP-dependent Clp protease proteolytic subunit
a: ATP-dependent Clp protease proteolytic subunit
b: ATP-dependent Clp protease proteolytic subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)620,630116
Polymers604,43228
Non-polymers16,19888
Water1,856103
1
A: ATP-dependent Clp protease proteolytic subunit
B: ATP-dependent Clp protease proteolytic subunit
C: ATP-dependent Clp protease proteolytic subunit
D: ATP-dependent Clp protease proteolytic subunit
E: ATP-dependent Clp protease proteolytic subunit
F: ATP-dependent Clp protease proteolytic subunit
G: ATP-dependent Clp protease proteolytic subunit
H: ATP-dependent Clp protease proteolytic subunit
I: ATP-dependent Clp protease proteolytic subunit
J: ATP-dependent Clp protease proteolytic subunit
K: ATP-dependent Clp protease proteolytic subunit
L: ATP-dependent Clp protease proteolytic subunit
M: ATP-dependent Clp protease proteolytic subunit
N: ATP-dependent Clp protease proteolytic subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)310,37459
Polymers302,21614
Non-polymers8,15845
Water25214
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area67090 Å2
ΔGint-607 kcal/mol
Surface area87590 Å2
MethodPISA
2
O: ATP-dependent Clp protease proteolytic subunit
P: ATP-dependent Clp protease proteolytic subunit
Q: ATP-dependent Clp protease proteolytic subunit
R: ATP-dependent Clp protease proteolytic subunit
S: ATP-dependent Clp protease proteolytic subunit
T: ATP-dependent Clp protease proteolytic subunit
U: ATP-dependent Clp protease proteolytic subunit
V: ATP-dependent Clp protease proteolytic subunit
W: ATP-dependent Clp protease proteolytic subunit
X: ATP-dependent Clp protease proteolytic subunit
Y: ATP-dependent Clp protease proteolytic subunit
Z: ATP-dependent Clp protease proteolytic subunit
a: ATP-dependent Clp protease proteolytic subunit
b: ATP-dependent Clp protease proteolytic subunit
hetero molecules


Theoretical massNumber of molelcules
Total (without water)310,25657
Polymers302,21614
Non-polymers8,04043
Water25214
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area65420 Å2
ΔGint-598 kcal/mol
Surface area87980 Å2
MethodPISA
Unit cell
Length a, b, c (Å)94.331, 190.230, 169.884
Angle α, β, γ (deg.)90.000, 93.612, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 18 through 21 or (resid 23...
d_2ens_1(chain "C" and (resid 18 through 21 or (resid 23...
d_3ens_1(chain "D" and (resid 18 through 21 or (resid 23...
d_4ens_1(chain "F" and (resid 18 through 21 or (resid 23...
d_5ens_1(chain "G" and (resid 18 through 21 or (resid 23...
d_6ens_1(chain "H" and (resid 18 through 21 or (resid 23...
d_7ens_1(chain "I" and (resid 18 through 21 or (resid 23...
d_8ens_1(chain "K" and (resid 18 through 21 or (resid 23...
d_9ens_1(chain "L" and (resid 18 through 21 or (resid 23...
d_10ens_1(chain "M" and (resid 18 through 21 or (resid 23...
d_11ens_1(chain "N" and (resid 18 through 21 or (resid 23...
d_12ens_1(chain "O" and (resid 18 through 21 or (resid 23...
d_13ens_1(chain "P" and (resid 18 through 21 or (resid 23...
d_14ens_1(chain "S" and (resid 18 through 21 or (resid 23...
d_15ens_1(chain "T" and (resid 18 through 21 or (resid 23...
d_16ens_1(chain "U" and (resid 18 through 21 or (resid 23...
d_17ens_1(chain "V" and (resid 18 through 21 or (resid 23...
d_18ens_1(chain "Y" and (resid 18 through 21 or (resid 23...
d_19ens_1(chain "a" and (resid 18 through 21 or (resid 23...
d_20ens_1(chain "b" and (resid 18 through 21 or (resid 23...
d_1ens_2(chain "B" and (resid 18 through 21 or resid 23...
d_2ens_2(chain "E" and (resid 18 through 21 or resid 23...
d_3ens_2(chain "J" and (resid 18 through 21 or resid 23...
d_4ens_2(chain "Q" and (resid 18 through 21 or resid 23...
d_5ens_2(chain "R" and (resid 18 through 21 or resid 23...
d_6ens_2(chain "W" and (resid 18 through 21 or resid 23...
d_7ens_2(chain "X" and (resid 18 through 21 or resid 23...
d_8ens_2(chain "Z" and (resid 18 through 21 or resid 23...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1ASPSERA7 - 10
d_12ens_1LEULEUA12 - 13
d_13ens_1ARGGLYA16 - 22
d_14ens_1VALPROA24 - 44
d_15ens_1ASPILEA47 - 72
d_16ens_1PROALAA74 - 85
d_17ens_1METALAA87 - 96
d_18ens_1GLYSERA98 - 106
d_19ens_1VALALAA108 - 128
d_110ens_1GLULEUA130 - 132
d_111ens_1VALGLYA134 - 136
d_112ens_1METLEUA138 - 150
d_113ens_1GLNGLUA152 - 154
d_114ens_1ASPASPA156 - 160
d_115ens_1PHEVALA162 - 169
d_116ens_1TYRLEUA171 - 178
d_21ens_1ASPSERC6 - 9
d_22ens_1LEULEUC11 - 12
d_23ens_1ARGGLYC15 - 21
d_24ens_1VALPROC23 - 43
d_25ens_1ASPILEC46 - 71
d_26ens_1PROALAC73 - 84
d_27ens_1METALAC86 - 95
d_28ens_1GLYSERC97 - 105
d_29ens_1VALALAC107 - 127
d_210ens_1GLULEUC129 - 131
d_211ens_1VALGLYC133 - 135
d_212ens_1METLEUC137 - 149
d_213ens_1GLNGLUC151 - 153
d_214ens_1ASPASPC155 - 159
d_215ens_1PHEVALC161 - 168
d_216ens_1TYRLEUC170 - 177
d_31ens_1ASPSERD7 - 10
d_32ens_1LEULEUD12 - 13
d_33ens_1ARGGLYD16 - 22
d_34ens_1VALPROD24 - 44
d_35ens_1ASPILED47 - 72
d_36ens_1PROALAD74 - 85
d_37ens_1METALAD87 - 96
d_38ens_1GLYSERD98 - 106
d_39ens_1VALALAD108 - 128
d_310ens_1GLULEUD130 - 132
d_311ens_1VALGLYD134 - 136
d_312ens_1METLEUD138 - 150
d_313ens_1GLNGLUD152 - 154
d_314ens_1ASPASPD156 - 160
d_315ens_1PHEVALD162 - 169
d_316ens_1TYRLEUD171 - 178
d_41ens_1ASPSERF5 - 8
d_42ens_1LEULEUF10 - 11
d_43ens_1ARGGLYF14 - 20
d_44ens_1VALPROF22 - 42
d_45ens_1ASPILEF45 - 70
d_46ens_1PROALAF72 - 83
d_47ens_1METALAF85 - 94
d_48ens_1GLYSERF96 - 104
d_49ens_1VALALAF106 - 126
d_410ens_1GLULEUF128 - 130
d_411ens_1VALGLYF132 - 134
d_412ens_1METLEUF136 - 148
d_413ens_1GLNGLUF150 - 152
d_414ens_1ASPASPF154 - 158
d_415ens_1PHEVALF160 - 167
d_416ens_1TYRLEUF169 - 176
d_51ens_1ASPSERG5 - 8
d_52ens_1LEULEUG10 - 11
d_53ens_1ARGGLYG14 - 20
d_54ens_1VALPROG22 - 42
d_55ens_1ASPILEG45 - 70
d_56ens_1PROALAG72 - 83
d_57ens_1METALAG85 - 94
d_58ens_1GLYSERG96 - 104
d_59ens_1VALALAG106 - 126
d_510ens_1GLULEUG128 - 130
d_511ens_1VALGLYG132 - 134
d_512ens_1METLEUG136 - 148
d_513ens_1GLNGLUG150 - 152
d_514ens_1ASPASPG154 - 158
d_515ens_1PHEVALG160 - 167
d_516ens_1TYRLEUG169 - 176
d_61ens_1ASPSERH2 - 5
d_62ens_1LEULEUH7 - 8
d_63ens_1ARGGLYH11 - 17
d_64ens_1VALPROH19 - 39
d_65ens_1ASPILEH42 - 67
d_66ens_1PROALAH69 - 80
d_67ens_1METALAH82 - 91
d_68ens_1GLYSERH93 - 101
d_69ens_1VALALAH103 - 123
d_610ens_1GLULEUH125 - 127
d_611ens_1VALGLYH129 - 131
d_612ens_1METLEUH133 - 145
d_613ens_1GLNGLUH147 - 149
d_614ens_1ASPASPH151 - 155
d_615ens_1PHEVALH157 - 164
d_616ens_1TYRLEUH166 - 173
d_71ens_1ASPSERI6 - 9
d_72ens_1LEULEUI11 - 12
d_73ens_1ARGGLYI15 - 21
d_74ens_1VALPROI23 - 43
d_75ens_1ASPILEI46 - 71
d_76ens_1PROALAI73 - 84
d_77ens_1METALAI86 - 95
d_78ens_1GLYSERI97 - 105
d_79ens_1VALALAI107 - 127
d_710ens_1GLULEUI129 - 131
d_711ens_1VALGLYI133 - 135
d_712ens_1METLEUI137 - 149
d_713ens_1GLNGLUI151 - 153
d_714ens_1ASPASPI155 - 159
d_715ens_1PHEVALI161 - 168
d_716ens_1TYRLEUI170 - 177
d_81ens_1ASPSERK4 - 7
d_82ens_1LEULEUK9 - 10
d_83ens_1ARGGLYK13 - 19
d_84ens_1VALPROK21 - 41
d_85ens_1ASPILEK44 - 69
d_86ens_1PROALAK71 - 82
d_87ens_1METALAK84 - 93
d_88ens_1GLYSERK95 - 103
d_89ens_1VALALAK105 - 125
d_810ens_1GLULEUK127 - 129
d_811ens_1VALGLYK131 - 133
d_812ens_1METLEUK135 - 147
d_813ens_1GLNGLUK149 - 151
d_814ens_1ASPASPK153 - 157
d_815ens_1PHEVALK159 - 166
d_816ens_1TYRLEUK168 - 175
d_91ens_1ASPSERL5 - 8
d_92ens_1LEULEUL10 - 11
d_93ens_1ARGGLYL14 - 20
d_94ens_1VALPROL22 - 42
d_95ens_1ASPILEL45 - 70
d_96ens_1PROALAL72 - 83
d_97ens_1METALAL85 - 94
d_98ens_1GLYSERL96 - 104
d_99ens_1VALALAL106 - 126
d_910ens_1GLULEUL128 - 130
d_911ens_1VALGLYL132 - 134
d_912ens_1METLEUL136 - 148
d_913ens_1GLNGLUL150 - 152
d_914ens_1ASPASPL154 - 158
d_915ens_1PHEVALL160 - 167
d_916ens_1TYRLEUL169 - 176
d_101ens_1ASPSERM5 - 8
d_102ens_1LEULEUM10 - 11
d_103ens_1ARGGLYM14 - 20
d_104ens_1VALPROM22 - 42
d_105ens_1ASPILEM45 - 70
d_106ens_1PROALAM72 - 83
d_107ens_1METALAM85 - 94
d_108ens_1GLYSERM96 - 104
d_109ens_1VALALAM106 - 126
d_1010ens_1GLULEUM128 - 130
d_1011ens_1VALGLYM132 - 134
d_1012ens_1METLEUM136 - 148
d_1013ens_1GLNGLUM150 - 152
d_1014ens_1ASPASPM154 - 158
d_1015ens_1PHEVALM160 - 167
d_1016ens_1TYRLEUM169 - 176
d_111ens_1ASPSERN6 - 9
d_112ens_1LEULEUN11 - 12
d_113ens_1ARGGLYN15 - 21
d_114ens_1VALPRON23 - 43
d_115ens_1ASPILEN46 - 71
d_116ens_1PROALAN73 - 84
d_117ens_1METALAN86 - 95
d_118ens_1GLYSERN97 - 105
d_119ens_1VALALAN107 - 127
d_1110ens_1GLULEUN129 - 131
d_1111ens_1VALGLYN133 - 135
d_1112ens_1METLEUN137 - 149
d_1113ens_1GLNGLUN151 - 153
d_1114ens_1ASPASPN155 - 159
d_1115ens_1PHEVALN161 - 168
d_1116ens_1TYRLEUN170 - 177
d_121ens_1ASPSERO6 - 9
d_122ens_1LEULEUO11 - 12
d_123ens_1ARGGLYO15 - 21
d_124ens_1VALPROO23 - 43
d_125ens_1ASPILEO46 - 71
d_126ens_1PROALAO73 - 84
d_127ens_1METALAO86 - 95
d_128ens_1GLYSERO97 - 105
d_129ens_1VALALAO107 - 127
d_1210ens_1GLULEUO129 - 131
d_1211ens_1VALGLYO133 - 135
d_1212ens_1METLEUO137 - 149
d_1213ens_1GLNGLUO151 - 153
d_1214ens_1ASPASPO155 - 159
d_1215ens_1PHEVALO161 - 168
d_1216ens_1TYRLEUO170 - 177
d_131ens_1ASPSERP7 - 10
d_132ens_1LEULEUP12 - 13
d_133ens_1ARGGLYP16 - 22
d_134ens_1VALPROP24 - 44
d_135ens_1ASPILEP47 - 72
d_136ens_1PROALAP74 - 85
d_137ens_1METALAP87 - 96
d_138ens_1GLYSERP98 - 106
d_139ens_1VALALAP108 - 128
d_1310ens_1GLULEUP130 - 132
d_1311ens_1VALGLYP134 - 136
d_1312ens_1METLEUP138 - 150
d_1313ens_1GLNGLUP152 - 154
d_1314ens_1ASPASPP156 - 160
d_1315ens_1PHEVALP162 - 169
d_1316ens_1TYRLEUP171 - 178
d_141ens_1ASPSERS6 - 9
d_142ens_1LEULEUS11 - 12
d_143ens_1ARGGLYS15 - 21
d_144ens_1VALPROS23 - 43
d_145ens_1ASPILES46 - 71
d_146ens_1PROALAS73 - 84
d_147ens_1METALAS86 - 95
d_148ens_1GLYSERS97 - 105
d_149ens_1VALALAS107 - 127
d_1410ens_1GLULEUS129 - 131
d_1411ens_1VALGLYS133 - 135
d_1412ens_1METLEUS137 - 149
d_1413ens_1GLNGLUS151 - 153
d_1414ens_1ASPASPS155 - 159
d_1415ens_1PHEVALS161 - 168
d_1416ens_1TYRLEUS170 - 177
d_151ens_1ASPSERT5 - 8
d_152ens_1LEULEUT10 - 11
d_153ens_1ARGGLYT14 - 20
d_154ens_1VALPROT22 - 42
d_155ens_1ASPILET45 - 70
d_156ens_1PROALAT72 - 83
d_157ens_1METALAT85 - 94
d_158ens_1GLYSERT96 - 104
d_159ens_1VALALAT106 - 126
d_1510ens_1GLULEUT128 - 130
d_1511ens_1VALGLYT132 - 134
d_1512ens_1METLEUT136 - 148
d_1513ens_1GLNGLUT150 - 152
d_1514ens_1ASPASPT154 - 158
d_1515ens_1PHEVALT160 - 167
d_1516ens_1TYRLEUT169 - 176
d_161ens_1ASPSERU5 - 8
d_162ens_1LEULEUU10 - 11
d_163ens_1ARGGLYU14 - 20
d_164ens_1VALPROU22 - 42
d_165ens_1ASPILEU45 - 70
d_166ens_1PROALAU72 - 83
d_167ens_1METALAU85 - 94
d_168ens_1GLYSERU96 - 104
d_169ens_1VALALAU106 - 126
d_1610ens_1GLULEUU128 - 130
d_1611ens_1VALGLYU132 - 134
d_1612ens_1METLEUU136 - 148
d_1613ens_1GLNGLUU150 - 152
d_1614ens_1ASPASPU154 - 158
d_1615ens_1PHEVALU160 - 167
d_1616ens_1TYRLEUU169 - 176
d_171ens_1ASPSERV6 - 9
d_172ens_1LEULEUV11 - 12
d_173ens_1ARGGLYV15 - 21
d_174ens_1VALPROV23 - 43
d_175ens_1ASPILEV46 - 71
d_176ens_1PROALAV73 - 84
d_177ens_1METALAV86 - 95
d_178ens_1GLYSERV97 - 105
d_179ens_1VALALAV107 - 127
d_1710ens_1GLULEUV129 - 131
d_1711ens_1VALGLYV133 - 135
d_1712ens_1METLEUV137 - 149
d_1713ens_1GLNGLUV151 - 153
d_1714ens_1ASPASPV155 - 159
d_1715ens_1PHEVALV161 - 168
d_1716ens_1TYRLEUV170 - 177
d_181ens_1ASPSERY5 - 8
d_182ens_1LEULEUY10 - 11
d_183ens_1ARGGLYY14 - 20
d_184ens_1VALPROY22 - 42
d_185ens_1ASPILEY45 - 70
d_186ens_1PROALAY72 - 83
d_187ens_1METALAY85 - 94
d_188ens_1GLYSERY96 - 104
d_189ens_1VALALAY106 - 126
d_1810ens_1GLULEUY128 - 130
d_1811ens_1VALGLYY132 - 134
d_1812ens_1METLEUY136 - 148
d_1813ens_1GLNGLUY150 - 152
d_1814ens_1ASPASPY154 - 158
d_1815ens_1PHEVALY160 - 167
d_1816ens_1TYRLEUY169 - 176
d_191ens_1ASPSERAA4 - 7
d_192ens_1LEULEUAA9 - 10
d_193ens_1ARGGLYAA13 - 19
d_194ens_1VALPROAA21 - 41
d_195ens_1ASPILEAA44 - 69
d_196ens_1PROALAAA71 - 82
d_197ens_1METALAAA84 - 93
d_198ens_1GLYSERAA95 - 103
d_199ens_1VALALAAA105 - 125
d_1910ens_1GLULEUAA127 - 129
d_1911ens_1VALGLYAA131 - 133
d_1912ens_1METLEUAA135 - 147
d_1913ens_1GLNGLUAA149 - 151
d_1914ens_1ASPASPAA153 - 157
d_1915ens_1PHEVALAA159 - 166
d_1916ens_1TYRLEUAA168 - 175
d_201ens_1ASPSERBA6 - 9
d_202ens_1LEULEUBA11 - 12
d_203ens_1ARGGLYBA15 - 21
d_204ens_1VALPROBA23 - 43
d_205ens_1ASPILEBA46 - 71
d_206ens_1PROALABA73 - 84
d_207ens_1METALABA86 - 95
d_208ens_1GLYSERBA97 - 105
d_209ens_1VALALABA107 - 127
d_2010ens_1GLULEUBA129 - 131
d_2011ens_1VALGLYBA133 - 135
d_2012ens_1METLEUBA137 - 149
d_2013ens_1GLNGLUBA151 - 153
d_2014ens_1ASPASPBA155 - 159
d_2015ens_1PHEVALBA161 - 168
d_2016ens_1TYRLEUBA170 - 177
d_11ens_2ASPSERB7 - 10
d_12ens_2LEULEUB12 - 13
d_13ens_2ARGGLYB16 - 22
d_14ens_2VALPROB24 - 44
d_15ens_2LYSALAB46 - 85
d_16ens_2METALAB87 - 96
d_17ens_2GLYALAB98 - 128
d_18ens_2GLULEUB130 - 150
d_19ens_2GLNGLUB152 - 154
d_110ens_2ASPASPB156 - 160
d_111ens_2PHEVALB162 - 169
d_112ens_2TYRTHRB171 - 179
d_21ens_2ASPSERE7 - 10
d_22ens_2LEULEUE12 - 13
d_23ens_2ARGGLYE16 - 22
d_24ens_2VALPROE24 - 44
d_25ens_2LYSALAE46 - 85
d_26ens_2METALAE87 - 96
d_27ens_2GLYALAE98 - 128
d_28ens_2GLULEUE130 - 150
d_29ens_2GLNGLUE152 - 154
d_210ens_2ASPASPE156 - 160
d_211ens_2PHEVALE162 - 169
d_212ens_2TYRTHRE171 - 179
d_31ens_2ASPSERJ6 - 9
d_32ens_2LEULEUJ11 - 12
d_33ens_2ARGGLYJ15 - 21
d_34ens_2VALPROJ23 - 43
d_35ens_2LYSALAJ45 - 84
d_36ens_2METALAJ86 - 95
d_37ens_2GLYALAJ97 - 127
d_38ens_2GLULEUJ129 - 149
d_39ens_2GLNGLUJ151 - 153
d_310ens_2ASPASPJ155 - 159
d_311ens_2PHEVALJ161 - 168
d_312ens_2TYRTHRJ170 - 178
d_41ens_2ASPSERQ8 - 11
d_42ens_2LEULEUQ13 - 14
d_43ens_2ARGGLYQ17 - 23
d_44ens_2VALPROQ25 - 45
d_45ens_2LYSALAQ47 - 86
d_46ens_2METALAQ88 - 97
d_47ens_2GLYALAQ99 - 129
d_48ens_2GLULEUQ131 - 151
d_49ens_2GLNGLUQ153 - 155
d_410ens_2ASPASPQ157 - 161
d_411ens_2PHEVALQ163 - 170
d_412ens_2TYRTHRQ172 - 180
d_51ens_2ASPSERR7 - 10
d_52ens_2LEULEUR12 - 13
d_53ens_2ARGGLYR16 - 22
d_54ens_2VALPROR24 - 44
d_55ens_2LYSALAR46 - 85
d_56ens_2METALAR87 - 96
d_57ens_2GLYALAR98 - 128
d_58ens_2GLULEUR130 - 150
d_59ens_2GLNGLUR152 - 154
d_510ens_2ASPASPR156 - 160
d_511ens_2PHEVALR162 - 169
d_512ens_2TYRTHRR171 - 179
d_61ens_2ASPSERW1 - 4
d_62ens_2LEULEUW6 - 7
d_63ens_2ARGGLYW10 - 16
d_64ens_2VALPROW18 - 38
d_65ens_2LYSALAW40 - 79
d_66ens_2METALAW81 - 90
d_67ens_2GLYALAW92 - 122
d_68ens_2GLULEUW124 - 144
d_69ens_2GLNGLUW146 - 148
d_610ens_2ASPASPW150 - 154
d_611ens_2PHEVALW156 - 163
d_612ens_2TYRTHRW165 - 173
d_71ens_2ASPSERX6 - 9
d_72ens_2LEULEUX11 - 12
d_73ens_2ARGGLYX15 - 21
d_74ens_2VALPROX23 - 43
d_75ens_2LYSALAX45 - 84
d_76ens_2METALAX86 - 95
d_77ens_2GLYALAX97 - 127
d_78ens_2GLULEUX129 - 149
d_79ens_2GLNGLUX151 - 153
d_710ens_2ASPASPX155 - 159
d_711ens_2PHEVALX161 - 168
d_712ens_2TYRTHRX170 - 178
d_81ens_2ASPSERZ5 - 8
d_82ens_2LEULEUZ10 - 11
d_83ens_2ARGGLYZ14 - 20
d_84ens_2VALPROZ22 - 42
d_85ens_2LYSALAZ44 - 83
d_86ens_2METALAZ85 - 94
d_87ens_2GLYALAZ96 - 126
d_88ens_2GLULEUZ128 - 148
d_89ens_2GLNGLUZ150 - 152
d_810ens_2ASPASPZ154 - 158
d_811ens_2PHEVALZ160 - 167
d_812ens_2TYRTHRZ169 - 177

NCS ensembles :
ID
ens_1
ens_2

-
Components

#1: Protein ...
ATP-dependent Clp protease proteolytic subunit / / Caseinolytic protease / Endopeptidase Clp / Heat shock protein F21.5 / Protease Ti


Mass: 21586.863 Da / Num. of mol.: 28
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli K-12 (bacteria) / Strain: K12 / Gene: clpP, lopP, b0437, JW0427 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0A6G7, endopeptidase Clp
#2: Chemical...
ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL / 2-Methyl-2,4-pentanediol


Mass: 118.174 Da / Num. of mol.: 50 / Source method: obtained synthetically / Formula: C6H14O2 / Comment: precipitant*YM
#3: Chemical
ChemComp-ACT / ACETATE ION / Acetate


Mass: 59.044 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C2H3O2
#4: Chemical...
ChemComp-ZGV / 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid


Mass: 346.378 Da / Num. of mol.: 28 / Source method: obtained synthetically / Formula: C18H22N2O5 / Feature type: SUBJECT OF INVESTIGATION
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 103 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 2.34 Å3/Da / Density % sol: 47.45 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.6 / Details: 0.1 M sodium acetate, 30% MPD

-
Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08B1-1 / Wavelength: 0.97895 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Feb 5, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97895 Å / Relative weight: 1
ReflectionResolution: 2.95→45.41 Å / Num. obs: 125212 / % possible obs: 99.71 % / Redundancy: 3.9 % / Biso Wilson estimate: 60.71 Å2 / CC1/2: 0.988 / Rmerge(I) obs: 0.175 / Rpim(I) all: 0.102 / Net I/σ(I): 6.9
Reflection shellResolution: 2.95→3.055 Å / Rmerge(I) obs: 1.25 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 12429 / CC1/2: 0.423 / Rpim(I) all: 0.72 / % possible all: 99.7

-
Processing

Software
NameVersionClassification
PHENIX1.19.1_4122refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
XDSdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: ITYF

Resolution: 2.95→45.41 Å / SU ML: 0.4229 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 26.0871
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2479 6042 4.83 %
Rwork0.2106 119116 -
obs0.2124 125158 99.74 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 56.79 Å2
Refinement stepCycle: LAST / Resolution: 2.95→45.41 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms39239 0 857 103 40199
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0140664
X-RAY DIFFRACTIONf_angle_d1.267154794
X-RAY DIFFRACTIONf_chiral_restr0.04896174
X-RAY DIFFRACTIONf_plane_restr0.02487014
X-RAY DIFFRACTIONf_dihedral_angle_d14.94615507
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.633409487144
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.577092359886
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.557991302773
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.599819598206
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.560760980354
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.58105511465
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.49225064457
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.532646022897
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.600083004638
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS0.526508912821
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS0.532951855245
ens_1d_13AX-RAY DIFFRACTIONTorsion NCS0.548013740682
ens_1d_14AX-RAY DIFFRACTIONTorsion NCS0.579318975473
ens_1d_15AX-RAY DIFFRACTIONTorsion NCS0.565027762168
ens_1d_16AX-RAY DIFFRACTIONTorsion NCS0.571576218042
ens_1d_17AX-RAY DIFFRACTIONTorsion NCS0.570299702054
ens_1d_18AX-RAY DIFFRACTIONTorsion NCS0.512285044772
ens_1d_19AX-RAY DIFFRACTIONTorsion NCS0.557201611791
ens_1d_20AX-RAY DIFFRACTIONTorsion NCS0.551001513396
ens_2d_2GX-RAY DIFFRACTIONTorsion NCS0.569234518695
ens_2d_3GX-RAY DIFFRACTIONTorsion NCS0.509944264632
ens_2d_4GX-RAY DIFFRACTIONTorsion NCS0.602005374677
ens_2d_5GX-RAY DIFFRACTIONTorsion NCS0.557496862516
ens_2d_6GX-RAY DIFFRACTIONTorsion NCS0.577641928503
ens_2d_7GX-RAY DIFFRACTIONTorsion NCS0.551632510436
ens_2d_8GX-RAY DIFFRACTIONTorsion NCS0.571584883303
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.95-2.980.35952040.32433913X-RAY DIFFRACTION99.78
2.98-3.020.32531930.31983984X-RAY DIFFRACTION99.57
3.02-3.060.3581990.30243930X-RAY DIFFRACTION99.76
3.06-3.090.32182070.29353936X-RAY DIFFRACTION99.74
3.09-3.130.33482100.29823991X-RAY DIFFRACTION99.74
3.13-3.180.32822160.29783913X-RAY DIFFRACTION99.78
3.18-3.220.3132140.2893968X-RAY DIFFRACTION99.79
3.22-3.270.37752240.29174020X-RAY DIFFRACTION99.79
3.27-3.320.31241800.28513935X-RAY DIFFRACTION99.69
3.32-3.380.30281970.26743968X-RAY DIFFRACTION99.83
3.38-3.430.32532120.25353926X-RAY DIFFRACTION99.93
3.43-3.50.31821770.24714016X-RAY DIFFRACTION99.83
3.5-3.560.29491980.23633933X-RAY DIFFRACTION99.9
3.56-3.640.2741930.22394006X-RAY DIFFRACTION99.74
3.64-3.720.29481870.23783958X-RAY DIFFRACTION99.88
3.72-3.80.28482110.23113965X-RAY DIFFRACTION99.93
3.8-3.90.25752110.20743963X-RAY DIFFRACTION99.93
3.9-40.21042040.19333962X-RAY DIFFRACTION99.83
4-4.120.23852190.18793983X-RAY DIFFRACTION99.76
4.12-4.250.21992240.17663960X-RAY DIFFRACTION99.95
4.25-4.410.18421870.16493953X-RAY DIFFRACTION99.83
4.41-4.580.17712090.1563955X-RAY DIFFRACTION99.88
4.58-4.790.18662120.15843976X-RAY DIFFRACTION99.86
4.79-5.040.22082040.1783973X-RAY DIFFRACTION99.76
5.04-5.360.23252050.18983975X-RAY DIFFRACTION99.74
5.36-5.770.22011530.20214034X-RAY DIFFRACTION99.76
5.77-6.350.25541920.20774006X-RAY DIFFRACTION99.6
6.35-7.270.2411810.1934025X-RAY DIFFRACTION99.67
7.27-9.140.20372020.1773993X-RAY DIFFRACTION99.76
9.14-45.410.18932170.17243996X-RAY DIFFRACTION98.39
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
16.219022920740.9060788920120.5673317628862.199208915591.762969445461.992286153180.3132539189280.641094940990.00271123926325-0.4568426797010.03159483861630.0488815249781-0.02152371026990.1789169057170.326220729630.7534842547120.08301375580720.002708998511330.594289288469-0.09242698998930.54132843471911.9664.4878.503
23.63471987395-0.2572637001790.6018654470277.00736844628-6.003466468975.215813508540.5565398913920.0619506599650.109954366687-0.0472166861778-0.7227932281620.885253831117-0.185087896956-0.342792449962-0.2051946092620.5679921825250.04586269290380.09323251991170.427278703696-0.1353844240850.434771261038.96156.39287.638
34.295825661232.12118495142.758718854076.55749608692-0.9354720175992.94300768377-0.07623332500050.01841050869120.0804840747892-0.262371302321-0.3194568646590.05282744360570.124511148694-0.1800349169440.3578834755970.507445311396-0.08935140646750.09552327645820.584648027962-0.1788363206860.34543478984215.69757.26192.746
46.062516019230.6652110445181.883332173231.1270340596-2.126311503465.736562718510.034164748739-0.7984835722090.3909211283820.3450913778030.0131500546429-0.141616517867-0.236443100884-0.5701969608370.004344387283920.448849400894-0.01675067273570.01532664954360.463353941023-0.1681279709980.3764376223468.29254.20595.995
56.680201527810.5815757916152.668960770742.28870424777-1.022187094691.582837485930.0112709015751-0.6727373062970.602793633320.11130860806-0.2138166181990.6760789957320.195297631078-0.4851757424030.1945565310130.520301361590.04037246588210.05840988850680.643707116293-0.2326671860790.443854802570.69853.67695.266
62.81277643754-2.4461075731.937981833264.49077561197-0.5978183699531.011872633510.979692719492-0.170958471168-0.0210270449721-1.43160798193-0.7201232144280.289540932230.6261164635670.00691300889547-0.1834906493990.547254912812-0.07975884197850.09585589115750.5377282395280.002200096268370.3335160086843.71135.95992.074
76.53018817109-7.52332569296-3.32823389698.567929075663.7486217322.54257623208-0.034228688521-1.16938505833-0.126839356105-0.3416488877750.221372497509-0.146400357956-0.1414862346840.111936007649-0.3130771859660.426166159278-0.1066030482290.08652874212220.585802747944-0.0002427196493360.4450880521858.54834.641103.91
89.69564286718-1.066442298362.712060738197.480742978730.4386239098299.55716508251-0.990630470043-0.777120904542-1.249034735890.152950915174-0.05872910402710.8361751966620.0849937607784-2.52682214161.072238647820.591205534682-0.08853293097090.166885095080.911847549012-0.09410160113570.622251333903-6.06838.046104.53
97.44604296213-8.612761937133.858877366949.93568781798-4.627145523992.09959255012-0.62029136957-1.897354494820.4208802783170.8487876662771.269551366670.37652131341-0.204245209105-0.523476339678-0.7726294541490.480103489808-0.08124117871920.1785002256490.763339073888-0.1271473157540.589902065726-9.01941.67594.443
102.551564494011.59643834842.520100756462.52501778013-0.4559121265998.350248074560.296839178318-0.9697343819180.965193821922-0.5330010674950.1531472433640.350674790917-1.07103059664-0.986806338189-0.1910134453660.6664587967780.0343258054430.1803520522510.718547736739-0.4260961679440.916272605646-8.8859.00391.668
115.00461857628-0.03892593975770.9261282844743.178739733562.995375239335.162409240970.1616452765060.3281653639370.255170001077-0.0840228369372-0.104652430809-0.175397692723-0.345394477745-0.289693655737-0.1042496933890.458510144853-0.0594728870070.1094632759950.433514993207-0.004365991290910.3288626888128.97955.49593.263
120.710605422194-1.22986641065-0.6721575640791.360128603430.2593063210411.959313810490.0256661182924-0.1914846589010.06312429870490.162932991760.0952872761082-0.0786995574331-0.1380395825730.348255349962-0.1470304471210.413344564939-0.1056526250550.07306353650370.517908870905-0.06159925899360.35422409915930.62943.362100.889
132.21837023558-2.41074808898-1.713594283843.915239414841.858897109263.165852685570.0192955194556-0.7375812177180.128023855530.3848131295560.133548099222-0.0745876273998-0.001071380445430.43311458365-0.1336963457360.63727393587-0.123674808461-0.03212121257850.616219031603-0.0145539612750.34358352446431.40235.067106.317
143.75508294328-1.61828178674-0.695750891747.302145687060.7132926527865.397425611020.1633947596810.005552985027340.0318722469744-0.04256056946020.1645614084660.278205193463-0.523571955734-0.148811611872-0.2080434011610.3309186651680.00376481538281-0.01221552611880.378009174703-0.01448329230530.30191659588243.97755.03281.259
152.39460392607-0.108595371615-0.3902784239192.527406599832.52713677272.738642362860.0402958490505-0.06512494147340.1959595860140.0381416414578-0.1785158676950.1594196959980.1222882547280.1735468602960.06827008027950.315934484002-0.0318720280292-0.01777398847170.3013009815640.005974104944940.39572620747251.74742.90183.059
161.096681439560.4749438409781.007022487843.501334876382.861286959376.773712149210.0935462869679-0.229731517289-0.1735391011910.4162949364190.0824529207057-0.3038714422550.2649103350570.51464862566-0.2958907370560.381043191562-0.0199268474788-0.09223056173380.4743392972730.03653132567980.51557100992457.37434.28484.237
171.45113925089-1.9308232269-1.506396075382.682283642932.308452646017.690550151570.19934207438-1.477444352471.18209961632-0.59010641004-0.08528790556741.14330591208-0.262181963906-0.365863419244-0.335362701810.584418817687-0.028127562901-0.1516030562660.840134897695-0.273108398820.74081280640140.63962.571.884
185.73918420602-0.3691125158521.309166120672.795518400110.6623469953435.74076778449-0.3372310043070.1057064597740.4543184419990.000612162040832-0.1583711133150.280913729083-0.420418157868-0.1516471445430.2654011666030.354318123528-0.1061435961280.01760189343580.3039632613370.05576930996070.45946733549143.14356.4358.751
195.08021372856-1.050063205081.440219536572.235129149860.793565014924.53961316103-0.1719926106430.0168311261110.609022954587-0.0749492233060.4019825015720.807077558592-0.2359811933720.206475000240.1470958385360.388114599214-0.03795028120080.005741077704430.404840661469-0.03864100425980.42583345708150.61356.08160.239
203.93009844937-1.126648675442.884864219433.3018170317-0.9156606776954.97576210065-0.07584367894160.583656248810.35199498161-0.120915992184-0.0317753088611-0.439318814727-0.379812017890.7017209777690.1389242757270.418029839632-0.1205214957290.09637776271970.379342374890.03382396699420.43625344505252.76951.26655.917
212.379126514821.399145203735.052717977650.9358105541962.648718301869.546953806160.539717116865-0.4681621426-0.1839189265240.243946185471-0.409766434193-0.1571080933220.756339938502-0.587122946479-0.2248699659980.485073879269-0.01728158781030.1078189279640.3460118670340.0170659924150.50356253509547.99434.99354.961
222.835644396528.061309251434.591001651298.680540361953.89291099214.75650241189-0.2465497053920.2183982337740.403956032304-0.1570977809870.1538565622140.103525184533-0.2044662872620.6499308285490.07683735351170.3464054190.003464863761420.0725637623710.587723155843-0.08271153892750.47507133383949.11237.45642.409
235.100988121085.174715928184.70300466045.867923896916.571755084988.416043025060.2058335062270.728928638074-0.385923949869-0.1797484247460.624799527239-0.7547691219070.1217056761740.907024989216-0.9119943975450.4059417751030.08830012050130.08810725404390.4273763260390.02768513111740.61918527297261.71936.58454.934
241.9290543179-1.76482350834-0.632195120163.966620577884.05138810825.41344474940.813666769652-0.249516626254-0.2193697694070.9751894549391.00024699177-1.536794667580.5084891326750.312306142751-1.226174675880.514978137476-0.1951679084930.0329912711230.4512478620690.1461890411160.97614239817362.78551.72366.618
254.911850578520.4433486017726.750964937130.08186412121740.6211663808899.26178952464-0.64068214631-0.885663496139-0.484827958522-0.06242665709570.2291407099380.603426396349-0.51821995116-1.211896105490.4988166215870.572085568844-0.01309546437250.05790856961950.570993925344-0.04307923034960.71802391377734.61764.13859.669
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1721.54842543355-2.40512333578-2.077038550363.070256114412.325749267222.3862822051-0.1492843879280.210367484441-0.1060499642330.0421167588997-0.09430252008030.125191086437-0.04905288508520.1642614333570.2902478096040.4118673639760.0192888558896-0.07179211457110.3675772905450.0002917688996230.33154412512281.62643.03179.744
1730.2915967981471.136590149611.630914712424.466519670734.253656390926.32580242737-0.153568090621-0.1400912509470.324527869213-0.04879752933480.342667862905-0.204166854629-0.174957266420.625465425664-0.2079510109680.3434025573890.0339289715469-0.08582033428080.531287981441-0.02962747745540.40404419300492.16332.027176.733
1741.891257570871.68019410011-1.331697455946.211642605953.643614416526.40551596673-0.518619587084-0.02177744837680.1992836658280.854346725850.6481193214420.283134373996-0.2010334743710.268799473075-0.1081972885720.4710124997760.0570112689717-0.07224773077920.4523108176940.04104933883830.38944180784379.33541.85190.245
1756.11175826257-5.180116479775.310815222216.87701336653-6.465233773549.31269411146-0.22670090302-0.2169816368511.27635374141-1.36654019684-0.6501818436330.385174605733-0.6012728639120.1217846762260.951438653670.6647874587310.211735337303-0.1138458858950.876087507518-0.2192413942790.61731644516754.51763.64169.938
1768.995987504380.797591407801-0.7528017131032.103827886783.49333689068.575736527470.403396677905-0.1011825785990.208191066135-0.852865866842-0.2475175598040.37123496917-0.06937924960720.0193561957052-0.0145247021290.4663100192090.1406629573360.008309778588030.4163201611620.02526698828810.45513750977956.84155.497178.195
1775.980040856491.93573790911-0.2225099064358.53323994483-1.104873827953.47030189235-0.06151439778060.2843042478280.151419819734-0.8470778401880.546958693522-1.102953323890.1291315789960.282065712581-0.1329917986380.5141179765220.101474449401-0.04842907301490.479747198666-0.04127551355320.35460239506765.4156.871179.227
1783.8336182109-0.0156154723352-1.606434644575.59670298196-1.021796547042.441138474610.134820596361-0.3641113585420.4357561623310.6010202635660.13874353857-0.493756494340.0628275755863-0.195532303523-0.2428726194170.5776252122890.0786733128064-0.06601094653120.466765472185-0.07301362228630.33938821158360.20954.391186.441
1793.2230085143-1.716869800120.3905557588632.434400815540.5900495930853.31917420457-0.332043338013-0.0248155941630.391289858324-0.50056790480.207576295438-0.571227930439-1.095187892340.608791721045-0.07958564720310.6262586158990.05006037855080.01534793951830.500944051972-0.1174698063320.51442847633953.21446.044185.6
1802.24018861122-2.048899517440.2727734688712.86571841835-0.6544697432841.11315788351-0.274034846816-0.284657489112-0.09497607164180.2594499655750.3190017506840.183442842941-0.1001144187430.23176260647-0.1500213279640.498496196350.0523570474592-0.01897418145190.434543668271-0.05631266283180.26759771646454.38141.888186.98
1817.99010995837-5.9719821307-7.307632470384.883823364456.475836387788.32531380906-0.206816360324-0.929016566562-0.114991721205-0.1427277429740.341077974420.0379401079803-0.1086024799350.511975930803-0.09796089891410.4477020764520.02778985797640.03433692719280.544444529812-0.003834027593560.30491929546766.16533.852191.565
1828.30308519119-0.701906903698-0.4937337952287.28656478736.916964141218.69272278038-0.224671806225-0.317685490804-1.065887230951.10519824212-0.0858011776670.1351134558271.41673128607-0.8121944316590.4429609307920.7149798533670.09047214450220.08927279192230.878412482529-0.01208820101360.39466697326153.82735.973199.621
1835.78181112652-6.74514388337-0.9071720411898.057291785361.237653640960.406608586676-0.649208374938-1.02690097114-0.5714441835931.189689175320.5779599623781.012679179920.002860442005490.3242532441990.01509828068630.4900708508080.04006773548380.2137368103250.743138597958-0.1228060925340.57385293301545.9139.788192.705
1844.25664069571-4.611119560256.227836349884.8484234538-6.58432669648.77670182545-0.7039416688520.235622900746-0.2478356454020.9317064153740.6235586881370.550425720458-1.60636075594-0.8843890607610.3830915336720.6088392301110.2149816543290.03939803871610.768628629151-0.123867301120.63286173726243.83355.998191.631
1854.24058504573-0.6362087936071.476598635457.89713644438-6.338473147299.38982959082-0.1488195505660.2532329204750.394348463773-0.10209727416-0.212869077038-0.492845962714-0.3271898900590.2792075089590.3791620093380.3421261670150.09853230335880.03543175545960.41359576264-0.0001456784913940.56896155999544.46961.576162.647
1866.912113354081.05168094291.547652283441.778758588250.5130748513486.28401202424-0.0925866697286-0.03814827481540.4932377927840.275129295009-0.47318766803-0.242256639918-0.818228823399-0.1761804525860.5925761112970.5610997538390.138507611547-0.05279800804220.4636656344220.04965460809510.36675388331646.48359.791173.145
1874.646983032141.555898474022.091541395421.60513786134-1.0469601023.78013445203-0.363233669446-0.4792739022780.6292511706480.341931673530.1527283342760.304856894924-0.468363483022-0.3001171970590.2357503577290.4891863767110.144976344876-0.0143120234690.367049285848-0.08552056501330.42674171149336.37956.5172.563
1880.2023492282390.271478750490.1021432630190.975442420238-1.386616016784.26011415107-0.0232189464995-0.5077895555120.268082055571-0.08670497488870.1852013369010.0938901828951-0.215401425613-0.396594881086-0.2081072183550.3525093445380.1143059597660.1027240505730.600553884306-0.04333786430050.48812676872331.91846.313170.589
1895.64092478199-7.131114183922.251389003317.99789669615-1.530694118211.68528613172-0.0179447335649-1.061473637790.723326350775-0.3581080196880.226248044034-0.885874619673-0.263881814534-0.555232387778-0.2176337945960.4134293707930.04878640332660.1971720322160.723653096375-0.0002816980313980.52197627015934.92338.7183.157
1901.32955912909-1.301115069972.569968993397.37418233423-4.743460031855.36532756530.165329360373-0.357184876726-0.06260362147391.146542315260.3086320101171.15240989018-0.366660665579-0.354314581998-0.4988696255150.4710840689510.1069791237870.115417195930.656366630748-0.03058310006690.51614221641521.59743.84172.35
1918.963773451710.52549507359-4.403376689367.093063695314.16880901884.941922265920.6219314103770.6817500645651.51673477595-0.06292581605780.08902730680240.7665888684840.624168688619-0.218482860197-0.2672832164450.5330132646960.2637256653180.3051095848490.7060923551070.1194686449710.84390634616823.0959.574164.908
1922.2018341198-2.685299460331.358472837638.361358181612.403397905165.418561206460.5296026313991.031812068531.73179556209-1.68050657236-0.91068589153-0.605099788447-0.5109199172580.4753033562850.3017700048250.66784613995-0.07801862635760.1505646251270.4905956133660.127729122290.65040826443352.7166.602146.161
1935.01414716967-0.05661435159390.05928390805292.03008003369-1.400809864488.92022054279-0.225813800414-0.1739135670240.2502878854950.4267639700620.181968322429-0.445773474167-0.7598871676430.1969748670750.1127456012140.3921781572330.0598714999724-0.01030442550840.2812851698160.004848412330640.59250256455240.71161.448151.127
1943.58244961818-0.1142385608071.009685857012.07951042034-1.926346237346.16198397572-0.233704846793-0.1302215257050.06929765357990.2869000649340.2599576406070.338571850465-0.579729700181-0.538808473976-0.1058607909850.4048472711050.06729167538180.05826299673950.389465303535-0.0010567422910.55495139212433.72160.085148.717
1955.190774076310.450222015541-1.272896039334.347713880430.3065687507752.81193179734-0.307870881897-0.3454804063870.743021356698-0.01331826641410.377371489828-0.222541552135-0.32556479449-0.209621429923-0.123835850490.4713628991260.1075799662140.003539208625890.258065551387-0.01767835620980.46884486851332.8557.974143.206
1960.6499759249482.3647938495-1.761822823026.95109884978-5.171725239035.43235790816-0.300353094719-0.183952174753-0.157705762993-0.26791284217-0.192431165148-0.560376585479-0.0249242951842-0.129485169460.5771346729790.286084292020.048697890793-0.04358339099880.4344641222780.08320118936120.50306803785330.92448.954142.395
1970.753050477802-2.27695888462.218803015129.2432350226-8.097189024477.97490734649-0.359437561677-0.2028340854620.0003765962624870.3084140154070.380608259449-0.0607723039629-0.417005530779-0.762334049451-0.2145092655710.2784882109890.03724869931420.00184197508160.4983222989180.02079458875370.48731656482522.29743.123153.178
1982.782103791721.81080636944-0.1116891752333.61374985374-4.442873636668.07152606435-0.466599340885-0.748641907903-0.158340123579-1.25969288980.2293349698170.531390570108-0.150958066891-1.092615314320.4410534387980.6521097783880.091060514461-0.125450517690.405602313640.03607908565730.53455222618516.62946.465139.414
1992.557145227472.5114393174-1.343550219694.04123940768-0.09562435694772.87076250386-0.352642085378-0.2798463105140.406264201217-0.5984501668141.264478631022.011099962440.231919885127-0.313490367821-0.8144470853530.4703190575190.08254452753590.00102475774060.4966406539630.05522261820090.5387245644426.46147.304133.538
2005.622739954724.00536516756-3.831956592173.35678772683-2.031787625064.137743752190.4304991283290.9646660400072.723592731350.8529272735920.9798382136350.574351119518-1.41662184688-0.703948680009-1.309266461990.9081199066530.0198703046670.082982236560.489817903050.1808671123760.73962222541632.2963.112130.685
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 2:24 )A2 - 24
2X-RAY DIFFRACTION2( CHAIN A AND RESID 25:36 )A25 - 36
3X-RAY DIFFRACTION3( CHAIN A AND RESID 37:53 )A37 - 53
4X-RAY DIFFRACTION4( CHAIN A AND RESID 54:82 )A54 - 82
5X-RAY DIFFRACTION5( CHAIN A AND RESID 83:114 )A83 - 114
6X-RAY DIFFRACTION6( CHAIN A AND RESID 115:131 )A115 - 131
7X-RAY DIFFRACTION7( CHAIN A AND RESID 132:157 )A132 - 157
8X-RAY DIFFRACTION8( CHAIN A AND RESID 158:168 )A158 - 168
9X-RAY DIFFRACTION9( CHAIN A AND RESID 169:182 )A169 - 182
10X-RAY DIFFRACTION10( CHAIN A AND RESID 183:193 )A183 - 193
11X-RAY DIFFRACTION11( CHAIN B AND RESID 3:69 )B3 - 69
12X-RAY DIFFRACTION12( CHAIN B AND RESID 70:131 )B70 - 131
13X-RAY DIFFRACTION13( CHAIN B AND RESID 132:192 )B132 - 192
14X-RAY DIFFRACTION14( CHAIN C AND RESID 3:69 )C3 - 69
15X-RAY DIFFRACTION15( CHAIN C AND RESID 70:131 )C70 - 131
16X-RAY DIFFRACTION16( CHAIN C AND RESID 132:191 )C132 - 191
17X-RAY DIFFRACTION17( CHAIN D AND RESID 3:25 )D3 - 25
18X-RAY DIFFRACTION18( CHAIN D AND RESID 26:53 )D26 - 53
19X-RAY DIFFRACTION19( CHAIN D AND RESID 54:69 )D54 - 69
20X-RAY DIFFRACTION20( CHAIN D AND RESID 70:114 )D70 - 114
21X-RAY DIFFRACTION21( CHAIN D AND RESID 115:131 )D115 - 131
22X-RAY DIFFRACTION22( CHAIN D AND RESID 132:157 )D132 - 157
23X-RAY DIFFRACTION23( CHAIN D AND RESID 158:182 )D158 - 182
24X-RAY DIFFRACTION24( CHAIN D AND RESID 183:192 )D183 - 192
25X-RAY DIFFRACTION25( CHAIN E AND RESID 2:25 )E2 - 25
26X-RAY DIFFRACTION26( CHAIN E AND RESID 26:131 )E26 - 131
27X-RAY DIFFRACTION27( CHAIN E AND RESID 132:168 )E132 - 168
28X-RAY DIFFRACTION28( CHAIN E AND RESID 169:193 )E169 - 193
29X-RAY DIFFRACTION29( CHAIN F AND RESID 3:25 )F3 - 25
30X-RAY DIFFRACTION30( CHAIN F AND RESID 26:91 )F26 - 91
31X-RAY DIFFRACTION31( CHAIN F AND RESID 92:104 )F92 - 104
32X-RAY DIFFRACTION32( CHAIN F AND RESID 105:131 )F105 - 131
33X-RAY DIFFRACTION33( CHAIN F AND RESID 132:157 )F132 - 157
34X-RAY DIFFRACTION34( CHAIN F AND RESID 158:168 )F158 - 168
35X-RAY DIFFRACTION35( CHAIN F AND RESID 169:182 )F169 - 182
36X-RAY DIFFRACTION36( CHAIN F AND RESID 183:193 )F183 - 193
37X-RAY DIFFRACTION37( CHAIN G AND RESID 3:24 )G3 - 24
38X-RAY DIFFRACTION38( CHAIN G AND RESID 25:91 )G25 - 91
39X-RAY DIFFRACTION39( CHAIN G AND RESID 92:114 )G92 - 114
40X-RAY DIFFRACTION40( CHAIN G AND RESID 115:131 )G115 - 131
41X-RAY DIFFRACTION41( CHAIN G AND RESID 132:157 )G132 - 157
42X-RAY DIFFRACTION42( CHAIN G AND RESID 158:168 )G158 - 168
43X-RAY DIFFRACTION43( CHAIN G AND RESID 169:182 )G169 - 182
44X-RAY DIFFRACTION44( CHAIN G AND RESID 183:192 )G183 - 192
45X-RAY DIFFRACTION45( CHAIN H AND RESID 17:26 )H17 - 26
46X-RAY DIFFRACTION46( CHAIN H AND RESID 27:69 )H27 - 69
47X-RAY DIFFRACTION47( CHAIN H AND RESID 70:91 )H70 - 91
48X-RAY DIFFRACTION48( CHAIN H AND RESID 92:104 )H92 - 104
49X-RAY DIFFRACTION49( CHAIN H AND RESID 105:131 )H105 - 131
50X-RAY DIFFRACTION50( CHAIN H AND RESID 132:168 )H132 - 168
51X-RAY DIFFRACTION51( CHAIN H AND RESID 169:182 )H169 - 182
52X-RAY DIFFRACTION52( CHAIN H AND RESID 183:193 )H183 - 193
53X-RAY DIFFRACTION53( CHAIN I AND RESID 2:26 )I2 - 26
54X-RAY DIFFRACTION54( CHAIN I AND RESID 27:114 )I27 - 114
55X-RAY DIFFRACTION55( CHAIN I AND RESID 115:131 )I115 - 131
56X-RAY DIFFRACTION56( CHAIN I AND RESID 132:168 )I132 - 168
57X-RAY DIFFRACTION57( CHAIN I AND RESID 169:182 )I169 - 182
58X-RAY DIFFRACTION58( CHAIN I AND RESID 183:193 )I183 - 193
59X-RAY DIFFRACTION59( CHAIN J AND RESID 3:24 )J3 - 24
60X-RAY DIFFRACTION60( CHAIN J AND RESID 25:53 )J25 - 53
61X-RAY DIFFRACTION61( CHAIN J AND RESID 54:104 )J54 - 104
62X-RAY DIFFRACTION62( CHAIN J AND RESID 105:131 )J105 - 131
63X-RAY DIFFRACTION63( CHAIN J AND RESID 132:157 )J132 - 157
64X-RAY DIFFRACTION64( CHAIN J AND RESID 158:168 )J158 - 168
65X-RAY DIFFRACTION65( CHAIN J AND RESID 169:182 )J169 - 182
66X-RAY DIFFRACTION66( CHAIN J AND RESID 183:193 )J183 - 193
67X-RAY DIFFRACTION67( CHAIN K AND RESID 3:25 )K3 - 25
68X-RAY DIFFRACTION68( CHAIN K AND RESID 26:104 )K26 - 104
69X-RAY DIFFRACTION69( CHAIN K AND RESID 105:131 )K105 - 131
70X-RAY DIFFRACTION70( CHAIN K AND RESID 132:157 )K132 - 157
71X-RAY DIFFRACTION71( CHAIN K AND RESID 158:182 )K158 - 182
72X-RAY DIFFRACTION72( CHAIN K AND RESID 183:192 )K183 - 192
73X-RAY DIFFRACTION73( CHAIN L AND RESID 3:25 )L3 - 25
74X-RAY DIFFRACTION74( CHAIN L AND RESID 26:36 )L26 - 36
75X-RAY DIFFRACTION75( CHAIN L AND RESID 37:104 )L37 - 104
76X-RAY DIFFRACTION76( CHAIN L AND RESID 105:131 )L105 - 131
77X-RAY DIFFRACTION77( CHAIN L AND RESID 132:157 )L132 - 157
78X-RAY DIFFRACTION78( CHAIN L AND RESID 158:168 )L158 - 168
79X-RAY DIFFRACTION79( CHAIN L AND RESID 169:182 )L169 - 182
80X-RAY DIFFRACTION80( CHAIN L AND RESID 183:192 )L183 - 192
81X-RAY DIFFRACTION81( CHAIN M AND RESID 3:24 )M3 - 24
82X-RAY DIFFRACTION82( CHAIN M AND RESID 25:91 )M25 - 91
83X-RAY DIFFRACTION83( CHAIN M AND RESID 92:104 )M92 - 104
84X-RAY DIFFRACTION84( CHAIN M AND RESID 105:131 )M105 - 131
85X-RAY DIFFRACTION85( CHAIN M AND RESID 132:168 )M132 - 168
86X-RAY DIFFRACTION86( CHAIN M AND RESID 169:192 )M169 - 192
87X-RAY DIFFRACTION87( CHAIN N AND RESID 3:26 )N3 - 26
88X-RAY DIFFRACTION88( CHAIN N AND RESID 27:53 )N27 - 53
89X-RAY DIFFRACTION89( CHAIN N AND RESID 54:69 )N54 - 69
90X-RAY DIFFRACTION90( CHAIN N AND RESID 70:91 )N70 - 91
91X-RAY DIFFRACTION91( CHAIN N AND RESID 92:114 )N92 - 114
92X-RAY DIFFRACTION92( CHAIN N AND RESID 115:131 )N115 - 131
93X-RAY DIFFRACTION93( CHAIN N AND RESID 132:157 )N132 - 157
94X-RAY DIFFRACTION94( CHAIN N AND RESID 158:168 )N158 - 168
95X-RAY DIFFRACTION95( CHAIN N AND RESID 169:182 )N169 - 182
96X-RAY DIFFRACTION96( CHAIN N AND RESID 183:192 )N183 - 192
97X-RAY DIFFRACTION97( CHAIN O AND RESID 2:36 )O2 - 36
98X-RAY DIFFRACTION98( CHAIN O AND RESID 37:91 )O37 - 91
99X-RAY DIFFRACTION99( CHAIN O AND RESID 92:104 )O92 - 104
100X-RAY DIFFRACTION100( CHAIN O AND RESID 105:131 )O105 - 131
101X-RAY DIFFRACTION101( CHAIN O AND RESID 132:168 )O132 - 168
102X-RAY DIFFRACTION102( CHAIN O AND RESID 169:182 )O169 - 182
103X-RAY DIFFRACTION103( CHAIN O AND RESID 183:191 )O183 - 191
104X-RAY DIFFRACTION104( CHAIN P AND RESID 3:25 )P3 - 25
105X-RAY DIFFRACTION105( CHAIN P AND RESID 26:36 )P26 - 36
106X-RAY DIFFRACTION106( CHAIN P AND RESID 37:82 )P37 - 82
107X-RAY DIFFRACTION107( CHAIN P AND RESID 83:104 )P83 - 104
108X-RAY DIFFRACTION108( CHAIN P AND RESID 105:131 )P105 - 131
109X-RAY DIFFRACTION109( CHAIN P AND RESID 132:157 )P132 - 157
110X-RAY DIFFRACTION110( CHAIN P AND RESID 158:168 )P158 - 168
111X-RAY DIFFRACTION111( CHAIN P AND RESID 169:182 )P169 - 182
112X-RAY DIFFRACTION112( CHAIN P AND RESID 183:192 )P183 - 192
113X-RAY DIFFRACTION113( CHAIN Q AND RESID 3:24 )Q3 - 24
114X-RAY DIFFRACTION114( CHAIN Q AND RESID 25:53 )Q25 - 53
115X-RAY DIFFRACTION115( CHAIN Q AND RESID 54:69 )Q54 - 69
116X-RAY DIFFRACTION116( CHAIN Q AND RESID 70:114 )Q70 - 114
117X-RAY DIFFRACTION117( CHAIN Q AND RESID 115:131 )Q115 - 131
118X-RAY DIFFRACTION118( CHAIN Q AND RESID 132:157 )Q132 - 157
119X-RAY DIFFRACTION119( CHAIN Q AND RESID 158:168 )Q158 - 168
120X-RAY DIFFRACTION120( CHAIN Q AND RESID 169:182 )Q169 - 182
121X-RAY DIFFRACTION121( CHAIN Q AND RESID 183:192 )Q183 - 192
122X-RAY DIFFRACTION122( CHAIN R AND RESID 3:24 )R3 - 24
123X-RAY DIFFRACTION123( CHAIN R AND RESID 25:91 )R25 - 91
124X-RAY DIFFRACTION124( CHAIN R AND RESID 92:104 )R92 - 104
125X-RAY DIFFRACTION125( CHAIN R AND RESID 105:131 )R105 - 131
126X-RAY DIFFRACTION126( CHAIN R AND RESID 132:168 )R132 - 168
127X-RAY DIFFRACTION127( CHAIN R AND RESID 169:182 )R169 - 182
128X-RAY DIFFRACTION128( CHAIN R AND RESID 183:192 )R183 - 192
129X-RAY DIFFRACTION129( CHAIN S AND RESID 3:27 )S3 - 27
130X-RAY DIFFRACTION130( CHAIN S AND RESID 28:82 )S28 - 82
131X-RAY DIFFRACTION131( CHAIN S AND RESID 83:104 )S83 - 104
132X-RAY DIFFRACTION132( CHAIN S AND RESID 105:131 )S105 - 131
133X-RAY DIFFRACTION133( CHAIN S AND RESID 132:157 )S132 - 157
134X-RAY DIFFRACTION134( CHAIN S AND RESID 158:182 )S158 - 182
135X-RAY DIFFRACTION135( CHAIN S AND RESID 183:193 )S183 - 193
136X-RAY DIFFRACTION136( CHAIN T AND RESID 3:24 )T3 - 24
137X-RAY DIFFRACTION137( CHAIN T AND RESID 25:69 )T25 - 69
138X-RAY DIFFRACTION138( CHAIN T AND RESID 70:104 )T70 - 104
139X-RAY DIFFRACTION139( CHAIN T AND RESID 105:131 )T105 - 131
140X-RAY DIFFRACTION140( CHAIN T AND RESID 132:157 )T132 - 157
141X-RAY DIFFRACTION141( CHAIN T AND RESID 158:182 )T158 - 182
142X-RAY DIFFRACTION142( CHAIN T AND RESID 183:192 )T183 - 192
143X-RAY DIFFRACTION143( CHAIN U AND RESID 2:24 )U2 - 24
144X-RAY DIFFRACTION144( CHAIN U AND RESID 25:36 )U25 - 36
145X-RAY DIFFRACTION145( CHAIN U AND RESID 37:53 )U37 - 53
146X-RAY DIFFRACTION146( CHAIN U AND RESID 54:82 )U54 - 82
147X-RAY DIFFRACTION147( CHAIN U AND RESID 83:91 )U83 - 91
148X-RAY DIFFRACTION148( CHAIN U AND RESID 92:104 )U92 - 104
149X-RAY DIFFRACTION149( CHAIN U AND RESID 105:131 )U105 - 131
150X-RAY DIFFRACTION150( CHAIN U AND RESID 132:157 )U132 - 157
151X-RAY DIFFRACTION151( CHAIN U AND RESID 158:168 )U158 - 168
152X-RAY DIFFRACTION152( CHAIN U AND RESID 169:182 )U169 - 182
153X-RAY DIFFRACTION153( CHAIN U AND RESID 183:192 )U183 - 192
154X-RAY DIFFRACTION154( CHAIN V AND RESID 3:36 )V3 - 36
155X-RAY DIFFRACTION155( CHAIN V AND RESID 37:114 )V37 - 114
156X-RAY DIFFRACTION156( CHAIN V AND RESID 115:182 )V115 - 182
157X-RAY DIFFRACTION157( CHAIN V AND RESID 183:193 )V183 - 193
158X-RAY DIFFRACTION158( CHAIN W AND RESID 18:53 )W18 - 53
159X-RAY DIFFRACTION159( CHAIN W AND RESID 54:104 )W54 - 104
160X-RAY DIFFRACTION160( CHAIN W AND RESID 105:131 )W105 - 131
161X-RAY DIFFRACTION161( CHAIN W AND RESID 132:157 )W132 - 157
162X-RAY DIFFRACTION162( CHAIN W AND RESID 158:168 )W158 - 168
163X-RAY DIFFRACTION163( CHAIN W AND RESID 169:182 )W169 - 182
164X-RAY DIFFRACTION164( CHAIN W AND RESID 183:191 )W183 - 191
165X-RAY DIFFRACTION165( CHAIN X AND RESID 3:25 )X3 - 25
166X-RAY DIFFRACTION166( CHAIN X AND RESID 26:104 )X26 - 104
167X-RAY DIFFRACTION167( CHAIN X AND RESID 105:131 )X105 - 131
168X-RAY DIFFRACTION168( CHAIN X AND RESID 132:168 )X132 - 168
169X-RAY DIFFRACTION169( CHAIN X AND RESID 169:191 )X169 - 191
170X-RAY DIFFRACTION170( CHAIN Y AND RESID 3:25 )Y3 - 25
171X-RAY DIFFRACTION171( CHAIN Y AND RESID 26:82 )Y26 - 82
172X-RAY DIFFRACTION172( CHAIN Y AND RESID 83:131 )Y83 - 131
173X-RAY DIFFRACTION173( CHAIN Y AND RESID 132:168 )Y132 - 168
174X-RAY DIFFRACTION174( CHAIN Y AND RESID 169:192 )Y169 - 192
175X-RAY DIFFRACTION175( CHAIN Z AND RESID 3:24 )Z3 - 24
176X-RAY DIFFRACTION176( CHAIN Z AND RESID 25:36 )Z25 - 36
177X-RAY DIFFRACTION177( CHAIN Z AND RESID 37:53 )Z37 - 53
178X-RAY DIFFRACTION178( CHAIN Z AND RESID 54:91 )Z54 - 91
179X-RAY DIFFRACTION179( CHAIN Z AND RESID 92:104 )Z92 - 104
180X-RAY DIFFRACTION180( CHAIN Z AND RESID 105:131 )Z105 - 131
181X-RAY DIFFRACTION181( CHAIN Z AND RESID 132:157 )Z132 - 157
182X-RAY DIFFRACTION182( CHAIN Z AND RESID 158:168 )Z158 - 168
183X-RAY DIFFRACTION183( CHAIN Z AND RESID 169:182 )Z169 - 182
184X-RAY DIFFRACTION184( CHAIN Z AND RESID 183:192 )Z183 - 192
185X-RAY DIFFRACTION185( CHAIN a AND RESID 3:36 )a3 - 36
186X-RAY DIFFRACTION186( CHAIN a AND RESID 37:53 )a37 - 53
187X-RAY DIFFRACTION187( CHAIN a AND RESID 54:104 )a54 - 104
188X-RAY DIFFRACTION188( CHAIN a AND RESID 105:131 )a105 - 131
189X-RAY DIFFRACTION189( CHAIN a AND RESID 132:157 )a132 - 157
190X-RAY DIFFRACTION190( CHAIN a AND RESID 158:182 )a158 - 182
191X-RAY DIFFRACTION191( CHAIN a AND RESID 183:191 )a183 - 191
192X-RAY DIFFRACTION192( CHAIN b AND RESID 3:24 )b3 - 24
193X-RAY DIFFRACTION193( CHAIN b AND RESID 25:53 )b25 - 53
194X-RAY DIFFRACTION194( CHAIN b AND RESID 54:82 )b54 - 82
195X-RAY DIFFRACTION195( CHAIN b AND RESID 83:104 )b83 - 104
196X-RAY DIFFRACTION196( CHAIN b AND RESID 105:131 )b105 - 131
197X-RAY DIFFRACTION197( CHAIN b AND RESID 132:157 )b132 - 157
198X-RAY DIFFRACTION198( CHAIN b AND RESID 158:167 )b158 - 167
199X-RAY DIFFRACTION199( CHAIN b AND RESID 168:182 )b168 - 182
200X-RAY DIFFRACTION200( CHAIN b AND RESID 183:192 )b183 - 192

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