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- PDB-7snq: Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand -

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Basic information

Entry
Database: PDB / ID: 7snq
TitleHexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
Components
  • Capsid protein p24
  • Cleavage and polyadenylation specificity factor subunit 6
KeywordsVIRAL PROTEIN
Function / homology
Function and homology information


HIV-1 retropepsin / : / retroviral ribonuclease H / exoribonuclease H / : / exoribonuclease H activity / host multivesicular body / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA ...HIV-1 retropepsin / : / retroviral ribonuclease H / exoribonuclease H / : / exoribonuclease H activity / host multivesicular body / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA / viral penetration into host nucleus / establishment of integrated proviral latency / RNA-directed DNA polymerase activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / RNA-DNA hybrid ribonuclease activity / viral nucleocapsid / DNA recombination / Hydrolases; Acting on ester bonds / DNA-directed DNA polymerase / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / symbiont-mediated suppression of host gene expression / lipid binding / host cell nucleus / host cell plasma membrane / virion membrane / structural molecule activity / proteolysis / DNA binding / RNA binding / zinc ion binding / membrane
Similarity search - Function
Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain ...Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain / Integrase, C-terminal, retroviral / Integrase DNA binding domain profile. / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / RNase H / Integrase core domain / Integrase, catalytic core / Integrase catalytic domain profile. / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Ribonuclease H domain / RNase H type-1 domain profile. / Reverse transcriptase (RNA-dependent DNA polymerase) / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Retrovirus capsid, C-terminal / Retroviral matrix protein / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Ribonuclease H superfamily / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Aspartic peptidase domain superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / DNA/RNA polymerase superfamily
Similarity search - Domain/homology
INOSITOL HEXAKISPHOSPHATE / Gag-Pol polyprotein
Similarity search - Component
Biological speciesHuman immunodeficiency virus type 1 group M subtype B
Human immunodeficiency virus 1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.81 Å
AuthorsBester, S.M. / Kvaratskhelia, M.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)U54 GM103368 United States
CitationJournal: Nat Commun / Year: 2022
Title: Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Authors: Guochao Wei / Naseer Iqbal / Valentine V Courouble / Ashwanth C Francis / Parmit K Singh / Arpa Hudait / Arun S Annamalai / Stephanie Bester / Szu-Wei Huang / Nikoloz Shkriabai / Lorenzo ...Authors: Guochao Wei / Naseer Iqbal / Valentine V Courouble / Ashwanth C Francis / Parmit K Singh / Arpa Hudait / Arun S Annamalai / Stephanie Bester / Szu-Wei Huang / Nikoloz Shkriabai / Lorenzo Briganti / Reed Haney / Vineet N KewalRamani / Gregory A Voth / Alan N Engelman / Gregory B Melikyan / Patrick R Griffin / Francisco Asturias / Mamuka Kvaratskhelia /
Abstract: Cellular proteins CPSF6, NUP153 and SEC24C play crucial roles in HIV-1 infection. While weak interactions of short phenylalanine-glycine (FG) containing peptides with isolated capsid hexamers have ...Cellular proteins CPSF6, NUP153 and SEC24C play crucial roles in HIV-1 infection. While weak interactions of short phenylalanine-glycine (FG) containing peptides with isolated capsid hexamers have been characterized, how these cellular factors functionally engage with biologically relevant mature HIV-1 capsid lattices is unknown. Here we show that prion-like low complexity regions (LCRs) enable avid CPSF6, NUP153 and SEC24C binding to capsid lattices. Structural studies revealed that multivalent CPSF6 assembly is mediated by LCR-LCR interactions, which are templated by binding of CPSF6 FG peptides to a subset of hydrophobic capsid pockets positioned along adjoining hexamers. In infected cells, avid CPSF6 LCR-mediated binding to HIV-1 cores is essential for functional virus-host interactions. The investigational drug lenacapavir accesses unoccupied hydrophobic pockets in the complex to potently impair HIV-1 inside the nucleus without displacing the tightly bound cellular cofactor from virus cores. These results establish previously undescribed mechanisms of virus-host interactions and antiviral action.
History
DepositionOct 28, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 7, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 19, 2022Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 18, 2023Group: 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: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
M: Cleavage and polyadenylation specificity factor subunit 6
N: Cleavage and polyadenylation specificity factor subunit 6
O: Cleavage and polyadenylation specificity factor subunit 6
P: Cleavage and polyadenylation specificity factor subunit 6
Q: Cleavage and polyadenylation specificity factor subunit 6
R: Cleavage and polyadenylation specificity factor subunit 6
S: Cleavage and polyadenylation specificity factor subunit 6
T: Cleavage and polyadenylation specificity factor subunit 6
U: Cleavage and polyadenylation specificity factor subunit 6
V: Cleavage and polyadenylation specificity factor subunit 6
W: Cleavage and polyadenylation specificity factor subunit 6
X: Cleavage and polyadenylation specificity factor subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)326,85630
Polymers324,14524
Non-polymers2,7116
Water3,081171
1
A: Capsid protein p24
B: Capsid protein p24
C: Capsid protein p24
D: Capsid protein p24
E: Capsid protein p24
F: Capsid protein p24
M: Cleavage and polyadenylation specificity factor subunit 6
N: Cleavage and polyadenylation specificity factor subunit 6
O: Cleavage and polyadenylation specificity factor subunit 6
P: Cleavage and polyadenylation specificity factor subunit 6
Q: Cleavage and polyadenylation specificity factor subunit 6
R: Cleavage and polyadenylation specificity factor subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)163,42815
Polymers162,07212
Non-polymers1,3563
Water1267
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
G: Capsid protein p24
H: Capsid protein p24
I: Capsid protein p24
J: Capsid protein p24
K: Capsid protein p24
L: Capsid protein p24
S: Cleavage and polyadenylation specificity factor subunit 6
T: Cleavage and polyadenylation specificity factor subunit 6
U: Cleavage and polyadenylation specificity factor subunit 6
V: Cleavage and polyadenylation specificity factor subunit 6
W: Cleavage and polyadenylation specificity factor subunit 6
X: Cleavage and polyadenylation specificity factor subunit 6
hetero molecules


Theoretical massNumber of molelcules
Total (without water)163,42815
Polymers162,07212
Non-polymers1,3563
Water1267
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)133.918, 135.673, 212.880
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 5 or resid 10...
d_2ens_1(chain "B" and (resid 1 through 5 or resid 10...
d_3ens_1(chain "C" and (resid 1 through 5 or resid 10...
d_4ens_1(chain "D" and (resid 1 through 5 or resid 10...
d_5ens_1(chain "E" and (resid 1 through 5 or resid 10...
d_6ens_1(chain "F" and (resid 1 through 5 or resid 10...
d_7ens_1(chain "G" and (resid 1 through 5 or resid 10...
d_8ens_1(chain "H" and (resid 1 through 5 or resid 10...
d_9ens_1(chain "I" and (resid 1 through 5 or resid 10...
d_10ens_1(chain "J" and (resid 1 through 5 or resid 10...
d_11ens_1(chain "K" and (resid 1 through 5 or resid 10...
d_12ens_1(chain "L" and (resid 1 through 5 or resid 10...
d_1ens_2(chain "M" and (resid 313 or (resid 314 and (name...
d_2ens_2(chain "N" and (resid 313 or (resid 314 and (name...
d_3ens_2(chain "O" and (resid 313 or (resid 314 and (name...
d_4ens_2(chain "P" and (resid 313 or (resid 314 and (name...
d_5ens_2(chain "Q" and (resid 313 or (resid 314 and (name...
d_6ens_2(chain "R" and (resid 313 or (resid 314 and (name...
d_7ens_2(chain "S" and (resid 313 or (resid 314 and (name...
d_8ens_2(chain "T" and (resid 313 or (resid 314 and (name...
d_9ens_2(chain "U" and (resid 313 or (resid 314 and (name...
d_10ens_2(chain "V" and (resid 313 or (resid 314 and (name...
d_11ens_2(chain "W" and (resid 313 through 318 or resid 320...
d_12ens_2(chain "X" and (resid 313 or (resid 314 and (name...
d_1ens_3chain "b"
d_2ens_3chain "c"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1PROASNA1 - 5
d_12ens_1METPROA10 - 17
d_13ens_1THRLEUA19 - 20
d_14ens_1ALAVALA22 - 24
d_15ens_1VALGLUA26 - 28
d_16ens_1LYSMETA30 - 66
d_17ens_1METASNA68 - 74
d_18ens_1GLUASPA76 - 81
d_19ens_1LEUHISA83 - 84
d_110ens_1GLUPROA87 - 88
d_111ens_1GLYLEUA90 - 100
d_112ens_1GLUHISA102 - 109
d_113ens_1PROLYSA111 - 120
d_114ens_1TRPVALA122 - 131
d_115ens_1METPHEA133 - 150
d_116ens_1ASPGLUA152 - 164
d_117ens_1THRTHRA175
d_118ens_1LEUPROA178 - 185
d_119ens_1CYSLYSA187 - 188
d_120ens_1LEUGLYA191 - 195
d_121ens_1ALALEUA198 - 200
d_122ens_1GLUCYSA202 - 207
d_21ens_1PROASNB1 - 5
d_22ens_1METPROB10 - 17
d_23ens_1THRLEUB19 - 20
d_24ens_1ALAVALB22 - 24
d_25ens_1VALGLUB26 - 28
d_26ens_1LYSMETB30 - 66
d_27ens_1METASNB68 - 74
d_28ens_1GLUASPB76 - 81
d_29ens_1LEUHISB83 - 84
d_210ens_1GLUPROB89 - 90
d_211ens_1GLYLEUB92 - 102
d_212ens_1GLUHISB104 - 111
d_213ens_1PROLYSB113 - 122
d_214ens_1TRPVALB124 - 133
d_215ens_1METPHEB135 - 152
d_216ens_1ASPGLUB154 - 166
d_217ens_1THRTHRB170
d_218ens_1LEUPROB173 - 180
d_219ens_1CYSLYSB182 - 183
d_220ens_1LEULEUB186 - 193
d_221ens_1GLUCYSB195 - 200
d_31ens_1PROASNC1 - 5
d_32ens_1METPROC10 - 17
d_33ens_1THRLEUC19 - 20
d_34ens_1ALAVALC22 - 24
d_35ens_1VALGLUC26 - 28
d_36ens_1LYSMETC30 - 66
d_37ens_1METASNC68 - 74
d_38ens_1GLUASPC76 - 81
d_39ens_1LEUHISC83 - 84
d_310ens_1GLUPROC86 - 87
d_311ens_1GLYLEUC89 - 99
d_312ens_1GLUHISC101 - 108
d_313ens_1PROLYSC110 - 119
d_314ens_1TRPVALC121 - 130
d_315ens_1METPHEC132 - 149
d_316ens_1ASPGLUC151 - 163
d_317ens_1THRTHRC174
d_318ens_1LEUPROC177 - 184
d_319ens_1CYSLYSC186 - 187
d_320ens_1LEUGLYC190 - 194
d_321ens_1ALALEUC197 - 199
d_322ens_1GLUCYSC201 - 206
d_41ens_1PROASND1 - 5
d_42ens_1METPROD10 - 17
d_43ens_1THRLEUD19 - 20
d_44ens_1ALAVALD22 - 24
d_45ens_1VALGLUD26 - 28
d_46ens_1LYSMETD30 - 66
d_47ens_1METASND68 - 74
d_48ens_1GLUASPD76 - 81
d_49ens_1LEUHISD83 - 84
d_410ens_1GLUPROD95 - 96
d_411ens_1GLYLEUD98 - 108
d_412ens_1GLUHISD110 - 117
d_413ens_1PROLYSD119 - 128
d_414ens_1TRPVALD130 - 139
d_415ens_1METPHED141 - 158
d_416ens_1ASPGLUD160 - 172
d_417ens_1THRTHRD176
d_418ens_1LEUPROD179 - 186
d_419ens_1CYSLYSD188 - 189
d_420ens_1LEUGLYD192 - 196
d_421ens_1ALALEUD199 - 201
d_422ens_1GLUCYSD203 - 208
d_51ens_1PROASNE1 - 5
d_52ens_1METPROE10 - 17
d_53ens_1THRLEUE19 - 20
d_54ens_1ALAVALE22 - 24
d_55ens_1VALGLUE26 - 28
d_56ens_1LYSMETE30 - 66
d_57ens_1METASNE68 - 74
d_58ens_1GLUASPE76 - 81
d_59ens_1LEUHISE83 - 84
d_510ens_1GLUPROE98 - 99
d_511ens_1GLYLEUE101 - 111
d_512ens_1GLUHISE113 - 120
d_513ens_1PROLYSE122 - 131
d_514ens_1TRPVALE133 - 142
d_515ens_1METPHEE144 - 161
d_516ens_1ASPGLUE163 - 175
d_517ens_1THRTHRE180
d_518ens_1LEUPROE183 - 190
d_519ens_1CYSLYSE192 - 193
d_520ens_1LEUGLYE196 - 200
d_521ens_1ALALEUE203 - 205
d_522ens_1GLUCYSE207 - 212
d_61ens_1PROASNF1 - 5
d_62ens_1METPROF10 - 17
d_63ens_1THRLEUF19 - 20
d_64ens_1ALAVALF22 - 24
d_65ens_1VALGLUF26 - 28
d_66ens_1LYSMETF30 - 66
d_67ens_1METASNF68 - 74
d_68ens_1GLUASPF76 - 81
d_69ens_1LEUHISF83 - 84
d_610ens_1GLUPROF91 - 92
d_611ens_1GLYLEUF94 - 104
d_612ens_1GLUHISF106 - 113
d_613ens_1PROLYSF115 - 124
d_614ens_1TRPVALF126 - 135
d_615ens_1METPHEF137 - 154
d_616ens_1ASPGLUF156 - 168
d_617ens_1THRTHRF178
d_618ens_1LEUPROF181 - 188
d_619ens_1CYSLYSF190 - 191
d_620ens_1LEUGLYF194 - 198
d_621ens_1ALALEUF201 - 203
d_622ens_1GLUCYSF205 - 210
d_71ens_1PROASNG1 - 5
d_72ens_1METPROG10 - 17
d_73ens_1THRLEUG19 - 20
d_74ens_1ALAVALG22 - 24
d_75ens_1VALGLUG26 - 28
d_76ens_1LYSMETG30 - 66
d_77ens_1METASNG68 - 74
d_78ens_1GLUASPG76 - 81
d_79ens_1LEUHISG83 - 84
d_710ens_1GLUPROG88 - 89
d_711ens_1GLYLEUG91 - 101
d_712ens_1GLUHISG103 - 110
d_713ens_1PROLYSG112 - 121
d_714ens_1TRPVALG123 - 132
d_715ens_1METPHEG134 - 151
d_716ens_1ASPGLUG153 - 165
d_717ens_1THRTHRG168
d_718ens_1LEUPROG171 - 178
d_719ens_1CYSLYSG180 - 181
d_720ens_1LEUGLYG184 - 188
d_721ens_1ALALEUG191 - 193
d_722ens_1GLUCYSG195 - 200
d_81ens_1PROASNH1 - 5
d_82ens_1METPROH10 - 17
d_83ens_1THRLEUH19 - 20
d_84ens_1ALAVALH22 - 24
d_85ens_1VALGLUH26 - 28
d_86ens_1LYSMETH30 - 66
d_87ens_1METASNH68 - 74
d_88ens_1GLUASPH76 - 81
d_89ens_1LEUHISH83 - 84
d_810ens_1GLUPROH88 - 89
d_811ens_1GLYLEUH91 - 101
d_812ens_1GLUHISH103 - 110
d_813ens_1PROLYSH112 - 121
d_814ens_1TRPVALH123 - 132
d_815ens_1METPHEH134 - 151
d_816ens_1ASPGLUH153 - 165
d_817ens_1THRTHRH176
d_818ens_1LEUPROH179 - 186
d_819ens_1CYSLYSH188 - 189
d_820ens_1LEUGLYH192 - 196
d_821ens_1ALALEUH199 - 201
d_822ens_1GLUCYSH203 - 208
d_91ens_1PROASNI1 - 5
d_92ens_1METPROI10 - 17
d_93ens_1THRLEUI19 - 20
d_94ens_1ALAVALI22 - 24
d_95ens_1VALGLUI26 - 28
d_96ens_1LYSMETI30 - 66
d_97ens_1METASNI68 - 74
d_98ens_1GLUASPI76 - 81
d_99ens_1LEUHISI83 - 84
d_910ens_1GLUPROI95 - 96
d_911ens_1GLYLEUI98 - 108
d_912ens_1GLUHISI110 - 117
d_913ens_1PROLYSI119 - 128
d_914ens_1TRPVALI130 - 139
d_915ens_1METPHEI141 - 158
d_916ens_1ASPGLUI160 - 172
d_917ens_1THRTHRI175
d_918ens_1LEUPROI178 - 185
d_919ens_1CYSLYSI187 - 188
d_920ens_1LEUGLYI191 - 195
d_921ens_1ALALEUI198 - 200
d_922ens_1GLUCYSI202 - 207
d_101ens_1PROASNJ1 - 5
d_102ens_1METPROJ10 - 17
d_103ens_1THRLEUJ19 - 20
d_104ens_1ALAVALJ22 - 24
d_105ens_1VALGLUJ26 - 28
d_106ens_1LYSMETJ30 - 66
d_107ens_1METASNJ68 - 74
d_108ens_1GLUASPJ76 - 81
d_109ens_1LEUHISJ83 - 84
d_1010ens_1GLUPROJ94 - 95
d_1011ens_1GLYLEUJ97 - 107
d_1012ens_1GLUHISJ109 - 116
d_1013ens_1PROLYSJ118 - 127
d_1014ens_1TRPVALJ129 - 138
d_1015ens_1METPHEJ140 - 157
d_1016ens_1ASPGLUJ159 - 171
d_1017ens_1THRTHRJ175
d_1018ens_1LEUPROJ178 - 185
d_1019ens_1CYSLYSJ187 - 188
d_1020ens_1LEUGLYJ191 - 195
d_1021ens_1ALALEUJ198 - 200
d_1022ens_1GLUCYSJ202 - 207
d_111ens_1PROASNK1 - 5
d_112ens_1METPROK10 - 17
d_113ens_1THRLEUK19 - 20
d_114ens_1ALAVALK22 - 24
d_115ens_1VALGLUK26 - 28
d_116ens_1LYSMETK30 - 66
d_117ens_1METASNK68 - 74
d_118ens_1GLUASPK76 - 81
d_119ens_1LEUHISK83 - 84
d_1110ens_1GLUPROK95 - 96
d_1111ens_1GLYLEUK98 - 108
d_1112ens_1GLUHISK110 - 117
d_1113ens_1PROLYSK119 - 128
d_1114ens_1TRPVALK130 - 139
d_1115ens_1METPHEK141 - 158
d_1116ens_1ASPGLUK160 - 172
d_1117ens_1THRTHRK175
d_1118ens_1LEUPROK178 - 185
d_1119ens_1CYSLYSK187 - 188
d_1120ens_1LEUGLYK191 - 195
d_1121ens_1ALALEUK198 - 200
d_1122ens_1GLUCYSK202 - 207
d_121ens_1PROASNL1 - 5
d_122ens_1METPROL7 - 14
d_123ens_1THRLEUL16 - 17
d_124ens_1ALAVALL19 - 21
d_125ens_1VALGLUL23 - 25
d_126ens_1LYSMETL27 - 63
d_127ens_1METASNL65 - 71
d_128ens_1GLUASPL73 - 78
d_129ens_1LEUHISL80 - 81
d_1210ens_1GLUPROL85 - 86
d_1211ens_1GLYLEUL88 - 98
d_1212ens_1GLUHISL100 - 107
d_1213ens_1PROLYSL109 - 118
d_1214ens_1TRPVALL120 - 129
d_1215ens_1METPHEL131 - 148
d_1216ens_1ASPGLUL150 - 162
d_1217ens_1THRTHRL173
d_1218ens_1LEUPROL176 - 183
d_1219ens_1CYSLYSL185 - 186
d_1220ens_1LEUGLYL189 - 193
d_1221ens_1ALALEUL196 - 198
d_1222ens_1GLUCYSL200 - 205
d_11ens_2PROGLYM1 - 6
d_12ens_2PROPROM8 - 12
d_21ens_2PROGLYN1 - 6
d_22ens_2PROPRON8 - 12
d_31ens_2PROGLYO1 - 6
d_32ens_2PROPROO8 - 12
d_41ens_2PROGLYP1 - 6
d_42ens_2PROPROP8 - 12
d_51ens_2PROGLYQ1 - 6
d_52ens_2PROPROQ8 - 12
d_61ens_2PROGLYR1 - 6
d_62ens_2PROPROR8 - 12
d_71ens_2PROGLYS1 - 6
d_72ens_2PROPROS8 - 12
d_81ens_2PROGLYU1 - 6
d_82ens_2PROPROU8 - 12
d_91ens_2PROGLYV1 - 6
d_92ens_2PROPROV8 - 12
d_101ens_2PROGLYW1 - 6
d_102ens_2PROPROW8 - 12
d_111ens_2PROGLYX1 - 6
d_112ens_2PROPROX8 - 12
d_121ens_2PROGLYY1 - 6
d_122ens_2PROPROY8 - 12
d_11ens_3IHPIHPB - E
d_21ens_3IHPIHPE

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(0.777536259374, -0.336482732405, 0.531240751593), (-0.136749680059, 0.734104196473, 0.665124464837), (-0.613788962399, -0.589805391222, 0.524778724914)1.03969658047, -3.97155729198, 30.933952928
2given(0.333534771475, -0.828225159181, 0.450330591806), (-0.617709565636, 0.168860722094, 0.768063115281), (-0.712172344828, -0.534349269891, -0.455281680972)20.5195727971, 14.8023864175, 48.6044198921
3given(0.0617764504217, -0.983475352587, -0.170176088296), (-0.982966058707, -0.0895187351279, 0.160512066499), (-0.173093609367, 0.157361453081, -0.97225304087)38.3141659292, 35.0946422387, 33.2295845878
4given(0.272007310975, -0.619352632435, -0.736487840681), (-0.859379826671, 0.188023243097, -0.475514009853), (0.432987686069, 0.762266080021, -0.481115461155)35.5101663273, 37.6154048494, 1.39990715947
5given(0.744468815613, -0.104604403231, -0.65941193605), (-0.415856729461, 0.700022539712, -0.580544248492), (0.522330702852, 0.706417980179, 0.477644506027)15.3877163068, 21.5437864036, -16.4831030584
6given(-0.139838975291, 0.77028470695, 0.622178857909), (0.796777065506, -0.285518200719, 0.53256517436), (0.5878701973, 0.570211212882, -0.573818615793)-107.158601756, 99.0257936233, 24.2093309453
7given(-0.605903853394, 0.229899634903, 0.761594825556), (0.311892088636, -0.812044612985, 0.493261463697), (0.731849605786, 0.536404422422, 0.420317082829)-90.0715263602, 118.905941103, 5.95974408896
8given(-0.979075272984, -0.0323203244867, 0.200915421149), (0.000546316397984, -0.987720899199, -0.156227804259), (0.203497693768, -0.152849016713, 0.967070766139)-70.8531158929, 137.566417678, 21.0314800952
9given(-0.887937728125, 0.156644114668, -0.432468741427), (0.249134963712, -0.626572838771, -0.738470207639), (-0.38665017888, -0.763458642661, 0.51733213714)-64.0528227767, 136.359489156, 52.6447060592
10given(-0.419893390795, 0.682751559146, -0.59794635951), (0.743335990823, -0.119287956908, -0.658196010383), (-0.520712151879, -0.720847204212, -0.457425581996)-80.1202066296, 117.044675899, 70.3155326512
11given(-0.0299377510088, 0.999545511599, -0.00353571880673), (0.999085609664, 0.0298155830554, -0.0306427082519), (-0.0305233619786, -0.00444985954951, -0.999524148344)-102.114326362, 99.623232622, 53.3868698467
12given(0.759446212098, -0.363579745344, 0.539491630802), (-0.137110838295, 0.72118375644, 0.679039474161), (-0.635957599964, -0.589664106269, 0.497849548384)2.52143245665, -3.35946677765, 30.4222418758
13given(0.336026347144, -0.840859038377, 0.424314001188), (-0.570294867774, 0.176887332942, 0.802168707465), (-0.749566579975, -0.511533917765, -0.420098789763)21.1186127702, 15.0209932616, 46.6543665186
14given(0.0443618470253, -0.981174574276, -0.187958722392), (-0.987411413515, -0.0716565636291, 0.141010770334), (-0.151824658701, 0.179337089537, -0.972001790804)37.8181861987, 33.7953641755, 32.0183806079
15given(0.265010682583, -0.627652385879, -0.731998511349), (-0.861710879556, 0.186496473294, -0.471882851462), (0.432693538399, 0.755825077613, -0.491431331804)36.0042052148, 37.8466199613, 1.74091432685
16given(0.728378398049, -0.0973728859825, -0.678220782881), (-0.413583071659, 0.726700663593, -0.548502678544), (0.546272781761, 0.68001813697, 0.489041287928)14.7593054533, 19.9655153522, -14.6652789936
17given(-0.161928938385, 0.740104893642, 0.652704960393), (0.785078107521, -0.304110204903, 0.539601101152), (0.597855654823, 0.599801408536, -0.531795906635)-105.927253124, 100.049684885, 22.7117922046
18given(-0.555870912124, 0.226240114176, 0.799889329715), (0.295983637595, -0.845319697248, 0.444778929044), (0.776789041716, 0.483993822463, 0.402925259182)-88.9961320015, 120.838424065, 9.63216815953
19given(-0.975123244863, -0.0296267586948, 0.219674560422), (-0.00358893827144, -0.988787618907, -0.149285512421), (0.221634331388, -0.146360171721, 0.964083462821)-71.0850204428, 137.651618592, 20.6335197459
20given(-0.906313367974, 0.19562070567, -0.374604616289), (0.195055128495, -0.592717469394, -0.781434257198), (-0.374899421018, -0.781292865057, 0.499030944062)-66.4401277389, 133.716177784, 53.564728111
21given(-0.413205078757, 0.709047148233, -0.571413776935), (0.74780624367, -0.0938759053977, -0.65724663279), (-0.519660836332, -0.698884436776, -0.491439883622)-81.5734250566, 115.630559657, 68.7874833369
22given(-0.0386054932608, 0.999102662719, -0.0174208277315), (0.998799052719, 0.0380557072068, -0.030857988207), (-0.0301673362643, -0.0185911940916, -0.999371952441)-102.353982317, 99.0901839311, 54.2252151926
23given(-0.341306200942, 0.850617729175, -0.399949441819), (0.675111690335, -0.0742191341064, -0.733972564682), (-0.654013977505, -0.520519931362, -0.548930522273)-51.5812344462, 78.9641053754, 50.6908323899

-
Components

#1: Protein
Capsid protein p24 / / CA


Mass: 25461.271 Da / Num. of mol.: 12 / Mutation: A14C, E45C, W184A, M185A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus type 1 group M subtype B (isolate BH10)
Strain: isolate BH10 / Gene: gag-pol / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P03366
#2: Protein/peptide
Cleavage and polyadenylation specificity factor subunit 6 /


Mass: 1550.796 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Production host: Escherichia coli BL21(DE3) (bacteria)
#3: Chemical
ChemComp-IHP / INOSITOL HEXAKISPHOSPHATE / MYO-INOSITOL HEXAKISPHOSPHATE / INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE / Phytic acid


Mass: 660.035 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H18O24P6 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 171 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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Experimental details

-
Experiment

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

-
Sample preparation

CrystalDensity Matthews: 2.98 Å3/Da / Density % sol: 58.77 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, hanging drop / Details: 0.1M Tris pH 8.2, 8% peg 8000, 5% Glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 4.2.2 / Wavelength: 0.9762 Å
DetectorType: RDI CMOS_8M / Detector: CMOS / Date: Aug 8, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9762 Å / Relative weight: 1
ReflectionResolution: 2.81→45.22 Å / Num. obs: 94907 / % possible obs: 99.9 % / Redundancy: 6.4 % / Biso Wilson estimate: 69.97 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.083 / Net I/σ(I): 16.5
Reflection shellResolution: 2.81→2.86 Å / Redundancy: 6.1 % / Rmerge(I) obs: 1.191 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 4661 / CC1/2: 0.576 / % possible all: 100

-
Processing

Software
NameVersionClassification
PHENIX1.19.1_4122refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4U0B

4u0b


Resolution: 2.81→44.24 Å / SU ML: 0.4423 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 30.2032
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2817 4738 5.03 %
Rwork0.2289 89497 -
obs0.2315 94235 99.23 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 85.16 Å2
Refinement stepCycle: LAST / Resolution: 2.81→44.24 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20147 0 146 171 20464
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.009220876
X-RAY DIFFRACTIONf_angle_d1.076428470
X-RAY DIFFRACTIONf_chiral_restr0.05963193
X-RAY DIFFRACTIONf_plane_restr0.00893705
X-RAY DIFFRACTIONf_dihedral_angle_d14.21137732
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.902571142055
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.69367660709
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.586950196509
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.531529013458
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.840413311825
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.94598926552
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.665356041871
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.545997103912
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.741470443579
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS0.711655942624
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS0.461377829265
ens_2d_2MX-RAY DIFFRACTIONTorsion NCS0.831447831061
ens_2d_3MX-RAY DIFFRACTIONTorsion NCS0.612270753526
ens_2d_4MX-RAY DIFFRACTIONTorsion NCS0.794948796473
ens_2d_5MX-RAY DIFFRACTIONTorsion NCS0.821834552853
ens_2d_6MX-RAY DIFFRACTIONTorsion NCS0.844324192589
ens_2d_7MX-RAY DIFFRACTIONTorsion NCS0.618578227895
ens_2d_8MX-RAY DIFFRACTIONTorsion NCS0.670145403786
ens_2d_9MX-RAY DIFFRACTIONTorsion NCS0.392012593087
ens_2d_10MX-RAY DIFFRACTIONTorsion NCS0.425949630559
ens_2d_11MX-RAY DIFFRACTIONTorsion NCS0.808742358231
ens_2d_12MX-RAY DIFFRACTIONTorsion NCS0.273903711378
ens_3d_2AX-RAY DIFFRACTIONTorsion NCS0.247865867027
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.81-2.840.3971570.34792954X-RAY DIFFRACTION99.94
2.84-2.880.37871590.3372988X-RAY DIFFRACTION99.78
2.88-2.910.37751490.30692954X-RAY DIFFRACTION99.81
2.91-2.950.33711550.2872985X-RAY DIFFRACTION99.84
2.95-2.990.34981350.2752965X-RAY DIFFRACTION99.84
2.99-3.030.30121570.27412987X-RAY DIFFRACTION99.87
3.03-3.070.32371450.27662982X-RAY DIFFRACTION99.97
3.07-3.120.34811400.27712998X-RAY DIFFRACTION99.94
3.12-3.160.361580.27992982X-RAY DIFFRACTION99.97
3.16-3.220.33621750.28122945X-RAY DIFFRACTION100
3.22-3.270.37611530.28512987X-RAY DIFFRACTION99.97
3.27-3.330.30721720.26962970X-RAY DIFFRACTION99.9
3.33-3.40.28891780.2462965X-RAY DIFFRACTION99.94
3.4-3.460.32351380.2542985X-RAY DIFFRACTION99.9
3.46-3.540.32361630.27512983X-RAY DIFFRACTION99.84
3.54-3.620.43131320.33592849X-RAY DIFFRACTION94.76
3.62-3.710.49321800.43322802X-RAY DIFFRACTION94.37
3.71-3.810.34321470.26532881X-RAY DIFFRACTION95.79
3.81-3.930.31181420.21692962X-RAY DIFFRACTION98.73
3.93-4.050.28141510.20992961X-RAY DIFFRACTION98.48
4.05-4.20.24031580.18583003X-RAY DIFFRACTION99.97
4.2-4.360.23971900.17822977X-RAY DIFFRACTION99.94
4.36-4.560.23561400.16533031X-RAY DIFFRACTION99.97
4.56-4.80.18361810.15752988X-RAY DIFFRACTION99.97
4.8-5.10.20651930.16192993X-RAY DIFFRACTION99.87
5.1-5.50.23741520.19333037X-RAY DIFFRACTION99.81
5.5-6.050.26691550.21083049X-RAY DIFFRACTION99.78
6.05-6.920.27221340.21213077X-RAY DIFFRACTION99.63
6.92-8.710.20411810.1793091X-RAY DIFFRACTION99.79
8.71-44.240.24421680.20433166X-RAY DIFFRACTION97.8
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
17.53831991429-2.529773169433.686242604477.01905817336-2.863999175597.53508347372-0.0610370649222-1.076318454810.3753860956541.113688343021.004182671950.4074384856960.162565622466-0.993573435238-0.9633415371480.572359757460.0058461526567-0.04938079609370.7593836614630.04060862379390.692746022946-24.218470555763.909095393712.7277527423
29.9093021987-1.488997379911.69311168634.362827181824.113276016138.893638143470.266027885054-0.354591457891-0.6736340328920.2136522215280.1062202003650.178163209456-0.06276356302620.299808226606-0.3561839097780.427321449393-0.05101412923660.08732910762710.3458967734870.02463939382790.423416492873-12.821054530649.24679236534.4713184972
37.50621922089-2.66661609515-0.7263316220148.258237200430.283578460426.243377016860.1376080697160.4787356960171.46956804213-0.234109069556-0.08510925586580.579008527367-0.986981816744-0.58687142553-0.02050361273460.496875632911-0.0431880156295-0.02642495453610.4208016472670.02590942324940.773253891006-15.859273481864.7847366978-4.77292491341
41.195818508773.532884783080.02579262604812.288004538760.3500021109743.62262406262-0.4966612084420.215907376981-0.257574744694-1.449385013040.424229433323-0.6678606368830.2051619131610.3227670562950.07933115196470.504402977029-0.05489486382960.09443419886820.532058712644-0.06419578793560.530721329569-14.602222990538.632724602-9.03411272305
56.726194860281.05559337859-2.16210758662.02704613586-0.6668909224477.70156335276-0.6927041463291.36601244413-0.62268343192-1.065087453240.09168894612221.814666952650.979618456529-0.9648150908770.4487905857720.841459849433-0.223197590963-0.02865127540960.738983488189-0.1447633941160.93278285646-21.767912069925.1532598938-15.8360427394
62.01759868795-3.48186082355-7.176327770582.012579797143.481165932287.2076365164-0.2541811656620.733348801266-1.300125019650.467995911785-0.6176664036571.637231297442.02082184286-1.273886837450.5755611087811.01834912807-0.1922824311650.06336541803640.750019648293-0.2817419754021.07167045054-27.451543382620.118959331-7.69441330939
70.374032440031-0.807117591971.387705894595.697616032841.341719259722.114330583460.844740370362-2.179623534551.397085784911.35654146849-0.0176100472633-0.303185482061-0.625538537995-0.703725248092-0.5754199437430.921613534114-0.06178138419470.1652070300330.946667180372-0.405214175240.892860670154-32.496879757854.52548133414.6023560314
82.063320217781.02289696690.5733692400738.951936652723.41161839846.08991004437-0.090325011405-0.7205619597120.167067886954-0.2289801449770.70486046903-1.636174594030.1342704552370.647018467223-0.6151605140950.435299831367-0.007330344718410.03254502854770.480384120409-0.1413151523920.628390975993-17.707898661538.63485370711.4796133991
92.391642838372.682131653342.184387803772.01501505705-5.795388320549.26595633122-0.80524921579-0.0969953039333-0.273663253544-0.4245278444560.658729363632-0.02411927570320.656167729341-0.4275927900710.0990552295980.515665154312-0.06648960275980.189764096090.485858806332-0.04214469327620.579512081452-27.037873539535.800097172312.1825210196
108.920624687655.06501514786-1.35802934952.88643318429-1.172792811245.220895056220.00866297064058-0.1761121176020.047467654217-0.348557842516-0.2184653731150.00811578016163-0.2110783962210.3744544833680.159014327460.4036248853330.0441451894366-0.01750782771420.3264619836-0.003389298119390.416161951112-24.363114224841.49911992822.91950014893
113.72429650497-1.296815512471.184713399756.52046743752-0.1690233987076.949978515250.2321207216890.182441888228-0.608659391895-1.16478669731-0.7085034150771.970385974420.308854181251-1.176079581980.4407540366290.800002340329-0.107026684823-0.1259723364490.783841129641-0.3716131294630.896131237002-34.335675962433.3447476236-3.41794531562
122.0139272305-2.483191099323.983883101946.95913552719-0.8687581010035.405991047450.1744885234381.80700023757-0.0520692058569-0.588884884325-0.7314087515341.59517038332-0.28058258683-1.707460555620.6736832724640.6930113016290.0385023663319-0.22222128721.23896509656-0.1936460747910.996951302957-42.148981691245.9077984642-2.82077593903
138.54932433867-2.338714802232.884052372536.30193182607-0.4015271098926.681580644040.291259054893-0.8328020598231.839196466450.575708579221-0.2256284513672.15099241407-2.2152820884-1.96136357565-0.003528967405481.076332883950.4106510754520.1898048426740.8092216732-0.2153636348151.18937046736-41.150585614251.65053676985.94928690258
148.49846911756-3.851120981642.593005626127.96710036358-2.791341966897.15419793204-0.103940757111-0.0129260207075-0.374201262943-0.189286649681-0.2384917368381.555135711990.814848708394-0.6672695269940.2505304389180.453126184307-0.05271512079370.03731977533350.423852402712-0.1044153343890.591453413992-33.452977787733.30073298075.18983752972
152.97466445174-2.000395159381.04940108691.34181664232-1.450934859765.78515501862-0.261661585780.306072811998-0.225820823306-1.1453800712-0.238219066001-1.013265640741.25529177318-0.8357291914140.5765631499711.589645159230.159431866050.3957126319640.755577195362-0.2196067924331.33827998465-23.096571710610.006896131214.6824988309
166.953021450922.70827031014-3.438517322816.572001416851.558816958523.22323700182-0.4710548405620.475712391095-0.861970576026-0.2509838550620.9185147902870.1515409137181.235368523850.167358514924-0.3863504188711.01889233808-0.07603861263930.3104516980860.384655234470.004834759021910.964262994452-25.717912190814.964031322619.7923965018
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1111.2056372356-1.031821636460.189772679121.462039623711.904826461689.258206016570.5132776441.70460232665-2.07488475203-1.100201746350.2033006868251.647251109191.944268895590.533361960438-0.4887487150161.033345112150.0154128074629-0.2743743235680.844138876554-0.3161179914510.960169818443-69.5452465173.14277108873.38664381832
1129.25801797127-5.120330962950.649068141648.049924540661.786324556339.68829677961.134956173521.40648317424-1.46937060127-1.99666222103-0.02788731298820.270919366253-2.629720650651.0943799674-0.9060620815071.08528639269-0.1205701955580.1362457733390.779128139185-0.186053328970.800151824201-46.743855594399.0123125860.64325723785
1130.1981644041450.833345832781-0.1082526572533.48618889162-0.4050467330610.03884220158630.620666137150.4878360409311.34522853328-0.516587696294-0.47344351234-1.14658952734-2.427316102893.22061658724-0.1876659779761.24002782107-0.5299973400650.3499970911211.26316819434-0.1281486214291.06552772267-28.3242242228110.11168685727.5322231005
1145.6956290116-1.406693915073.965837547046.41407562038-3.772230278565.39346505604-0.577099032109-0.9546370646172.321258914710.754829562027-0.10318322894-1.97912860964-0.8026752529331.130452246420.6909390839670.674720919612-0.137420677710.004397104767180.944545469317-0.2189200261930.991021366087-35.86439584496.729577663259.7879887536
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 16 )AA1 - 161 - 16
22chain 'A' and (resid 17 through 48 )AA17 - 4817 - 48
33chain 'A' and (resid 49 through 125 )AA49 - 12549 - 114
44chain 'A' and (resid 126 through 175 )AA126 - 175115 - 164
55chain 'A' and (resid 176 through 205 )AA176 - 205165 - 194
66chain 'A' and (resid 206 through 220 )AA206 - 220195 - 209
77chain 'B' and (resid 1 through 16 )BB1 - 161 - 16
88chain 'B' and (resid 17 through 30 )BB17 - 3017 - 30
99chain 'B' and (resid 31 through 48 )BB31 - 4831 - 48
1010chain 'B' and (resid 49 through 62 )BB49 - 6249 - 62
1111chain 'B' and (resid 63 through 82 )BB63 - 8263 - 82
1212chain 'B' and (resid 83 through 110 )BB83 - 11083 - 101
1313chain 'B' and (resid 111 through 125 )BB111 - 125102 - 116
1414chain 'B' and (resid 126 through 144 )BB126 - 144117 - 135
1515chain 'B' and (resid 145 through 160 )BB145 - 160136 - 151
1616chain 'B' and (resid 161 through 175 )BB161 - 175152 - 166
1717chain 'B' and (resid 176 through 192 )BB176 - 192167 - 176
1818chain 'B' and (resid 193 through 205 )BB193 - 205177 - 189
1919chain 'B' and (resid 206 through 219 )BB206 - 219190 - 201
2020chain 'C' and (resid 1 through 16 )CC1 - 161 - 16
2121chain 'C' and (resid 17 through 29 )CC17 - 2917 - 29
2222chain 'C' and (resid 30 through 43 )CC30 - 4330 - 43
2323chain 'C' and (resid 44 through 83 )CC44 - 8344 - 83
2424chain 'C' and (resid 84 through 104 )CC84 - 10484 - 92
2525chain 'C' and (resid 105 through 125 )CC105 - 12593 - 113
2626chain 'C' and (resid 126 through 145 )CC126 - 145114 - 133
2727chain 'C' and (resid 146 through 174 )CC146 - 174134 - 162
2828chain 'C' and (resid 175 through 189 )CC175 - 189163 - 177
2929chain 'C' and (resid 190 through 205 )CC190 - 205178 - 193
3030chain 'C' and (resid 206 through 219 )CC206 - 219194 - 207
3131chain 'D' and (resid 1 through 16 )DD1 - 161 - 16
3232chain 'D' and (resid 17 through 30 )DD17 - 3017 - 30
3333chain 'D' and (resid 31 through 83 )DD31 - 8331 - 83
3434chain 'D' and (resid 84 through 110 )DD84 - 11084 - 107
3535chain 'D' and (resid 111 through 144 )DD111 - 144108 - 141
3636chain 'D' and (resid 145 through 160 )DD145 - 160142 - 157
3737chain 'D' and (resid 161 through 195 )DD161 - 195158 - 185
3838chain 'D' and (resid 196 through 205 )DD196 - 205186 - 195
3939chain 'D' and (resid 206 through 219 )DD206 - 219196 - 209
4040chain 'E' and (resid 1 through 48 )EE1 - 481 - 48
4141chain 'E' and (resid 49 through 82 )EE49 - 8249 - 82
4242chain 'E' and (resid 83 through 125 )EE83 - 12583 - 125
4343chain 'E' and (resid 126 through 145 )EE126 - 145126 - 145
4444chain 'E' and (resid 146 through 174 )EE146 - 174146 - 174
4545chain 'E' and (resid 175 through 219 )EE175 - 219175 - 213
4646chain 'F' and (resid 1 through 48 )FF1 - 481 - 48
4747chain 'F' and (resid 49 through 81 )FF49 - 8149 - 81
4848chain 'F' and (resid 82 through 110 )FF82 - 11082 - 103
4949chain 'F' and (resid 111 through 145 )FF111 - 145104 - 138
5050chain 'F' and (resid 146 through 160 )FF146 - 160139 - 153
5151chain 'F' and (resid 161 through 175 )FF161 - 175154 - 168
5252chain 'F' and (resid 176 through 192 )FF176 - 192169 - 184
5353chain 'F' and (resid 193 through 220 )FF193 - 220185 - 212
5454chain 'G' and (resid 1 through 16 )GG1 - 161 - 16
5555chain 'G' and (resid 17 through 48 )GG17 - 4817 - 48
5656chain 'G' and (resid 49 through 83 )GG49 - 8349 - 83
5757chain 'G' and (resid 84 through 125 )GG84 - 12584 - 115
5858chain 'G' and (resid 126 through 144 )GG126 - 144116 - 134
5959chain 'G' and (resid 145 through 160 )GG145 - 160135 - 150
6060chain 'G' and (resid 161 through 174 )GG161 - 174151 - 164
6161chain 'G' and (resid 175 through 192 )GG175 - 192165 - 174
6262chain 'G' and (resid 193 through 205 )GG193 - 205175 - 187
6363chain 'G' and (resid 206 through 219 )GG206 - 219188 - 201
6464chain 'H' and (resid 1 through 30 )HH1 - 301 - 30
6565chain 'H' and (resid 31 through 125 )HH31 - 12531 - 115
6666chain 'H' and (resid 126 through 174 )HH126 - 174116 - 164
6767chain 'H' and (resid 175 through 205 )HH175 - 205165 - 195
6868chain 'H' and (resid 206 through 219 )HH206 - 219196 - 209
6969chain 'I' and (resid 1 through 16 )II1 - 161 - 16
7070chain 'I' and (resid 17 through 43 )II17 - 4317 - 43
7171chain 'I' and (resid 44 through 83 )II44 - 8344 - 83
7272chain 'I' and (resid 84 through 110 )II84 - 11084 - 107
7373chain 'I' and (resid 111 through 125 )II111 - 125108 - 122
7474chain 'I' and (resid 126 through 145 )II126 - 145123 - 142
7575chain 'I' and (resid 146 through 160 )II146 - 160143 - 157
7676chain 'I' and (resid 161 through 175 )II161 - 175158 - 172
7777chain 'I' and (resid 176 through 195 )II176 - 195173 - 184
7878chain 'I' and (resid 196 through 205 )II196 - 205185 - 194
7979chain 'I' and (resid 206 through 220 )II206 - 220195 - 209
8080chain 'J' and (resid 1 through 48 )JJ1 - 481 - 48
8181chain 'J' and (resid 49 through 83 )JJ49 - 8349 - 83
8282chain 'J' and (resid 84 through 104 )JJ84 - 10484 - 100
8383chain 'J' and (resid 105 through 125 )JJ105 - 125101 - 121
8484chain 'J' and (resid 126 through 144 )JJ126 - 144122 - 140
8585chain 'J' and (resid 145 through 160 )JJ145 - 160141 - 156
8686chain 'J' and (resid 161 through 175 )JJ161 - 175157 - 171
8787chain 'J' and (resid 176 through 219 )JJ176 - 219172 - 208
8888chain 'K' and (resid 1 through 48 )KK1 - 481 - 48
8989chain 'K' and (resid 49 through 83 )KK49 - 8349 - 83
9090chain 'K' and (resid 84 through 110 )KK84 - 11084 - 107
9191chain 'K' and (resid 111 through 145 )KK111 - 145108 - 142
9292chain 'K' and (resid 146 through 175 )KK146 - 175143 - 172
9393chain 'K' and (resid 176 through 205 )KK176 - 205173 - 194
9494chain 'K' and (resid 206 through 220 )KK206 - 220195 - 209
9595chain 'L' and (resid 1 through 16 )LL1 - 161 - 13
9696chain 'L' and (resid 17 through 48 )LL17 - 4814 - 45
9797chain 'L' and (resid 49 through 144 )LL49 - 14446 - 131
9898chain 'L' and (resid 145 through 160 )LL145 - 160132 - 147
9999chain 'L' and (resid 161 through 175 )LL161 - 175148 - 162
100100chain 'L' and (resid 176 through 192 )LL176 - 192163 - 179
101101chain 'L' and (resid 193 through 205 )LL193 - 205180 - 192
102102chain 'L' and (resid 206 through 219 )LL206 - 219193 - 206
103103chain 'M' and (resid 313 through 326 )MM313 - 3261 - 14
104104chain 'N' and (resid 313 through 325 )NN313 - 3251 - 13
105105chain 'O' and (resid 313 through 326 )OO313 - 3261 - 14
106106chain 'P' and (resid 313 through 325 )PP313 - 3251 - 13
107107chain 'Q' and (resid 313 through 325 )QQ313 - 3251 - 13
108108chain 'R' and (resid 313 through 326 )RR313 - 3261 - 14
109109chain 'S' and (resid 313 through 325 )SS313 - 3251 - 13
110110chain 'T' and (resid 313 through 326 )TU313 - 3261 - 14
111111chain 'U' and (resid 313 through 325 )UV313 - 3251 - 13
112112chain 'V' and (resid 313 through 324 )VW313 - 3241 - 12
113113chain 'W' and (resid 313 through 326 )WX313 - 3261 - 14
114114chain 'X' and (resid 313 through 325 )XY313 - 3251 - 13

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