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- PDB-8ym6: Structure of Caspase-8/cFLIP death effector domain assembly -

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Basic information

Entry
Database: PDB / ID: 8ym6
TitleStructure of Caspase-8/cFLIP death effector domain assembly
Components
  • CASP8 and FADD-like apoptosis regulator subunit p43
  • Caspase-8 subunit p10
KeywordsAPOPTOSIS / FADD / Caspase-8 / cFLIP / death effector domain
Function / homology
Function and homology information


negative regulation of myoblast fusion / skeletal muscle atrophy / skeletal myofibril assembly / caspase-8 / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / death effector domain binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / regulation of skeletal muscle satellite cell proliferation ...negative regulation of myoblast fusion / skeletal muscle atrophy / skeletal myofibril assembly / caspase-8 / syncytiotrophoblast cell differentiation involved in labyrinthine layer development / death effector domain binding / FasL/ CD95L signaling / TRAIL signaling / CD95 death-inducing signaling complex / regulation of skeletal muscle satellite cell proliferation / Apoptotic execution phase / Activation, myristolyation of BID and translocation to mitochondria / ripoptosome / Defective RIPK1-mediated regulated necrosis / Microbial modulation of RIPK1-mediated regulated necrosis / TRAIL-activated apoptotic signaling pathway / TRIF-mediated programmed cell death / Regulation by c-FLIP / CASP8 activity is inhibited / Dimerization of procaspase-8 / TLR3-mediated TICAM1-dependent programmed cell death / regulation of necroptotic process / positive regulation of extracellular matrix organization / self proteolysis / Caspase activation via Death Receptors in the presence of ligand / positive regulation of macrophage differentiation / negative regulation of hepatocyte apoptotic process / positive regulation of glomerular mesangial cell proliferation / response to cobalt ion / skeletal muscle tissue regeneration / positive regulation of hepatocyte proliferation / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / CLEC7A/inflammasome pathway / death-inducing signaling complex / negative regulation of necroptotic process / regulation of tumor necrosis factor-mediated signaling pathway / tumor necrosis factor receptor binding / death receptor binding / natural killer cell activation / TNFR1-induced proapoptotic signaling / negative regulation of cellular response to transforming growth factor beta stimulus / negative regulation of cardiac muscle cell apoptotic process / RIPK1-mediated regulated necrosis / response to anesthetic / execution phase of apoptosis / regulation of innate immune response / Apoptotic cleavage of cellular proteins / pyroptotic inflammatory response / response to testosterone / response to tumor necrosis factor / B cell activation / positive regulation of proteolysis / macrophage differentiation / extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of execution phase of apoptosis / Caspase-mediated cleavage of cytoskeletal proteins / cellular response to dexamethasone stimulus / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / skeletal muscle tissue development / negative regulation of reactive oxygen species biosynthetic process / extrinsic apoptotic signaling pathway / negative regulation of canonical NF-kappaB signal transduction / cysteine-type peptidase activity / cellular response to nitric oxide / regulation of cytokine production / proteolysis involved in protein catabolic process / cellular response to epidermal growth factor stimulus / T cell activation / protein maturation / positive regulation of interleukin-1 beta production / negative regulation of extrinsic apoptotic signaling pathway / Regulation of NF-kappa B signaling / apoptotic signaling pathway / enzyme activator activity / cellular response to estradiol stimulus / Regulation of TNFR1 signaling / cellular response to mechanical stimulus / NOD1/2 Signaling Pathway / positive regulation of neuron projection development / protein processing / Regulation of necroptotic cell death / cellular response to insulin stimulus / response to estradiol / peptidase activity / positive regulation of neuron apoptotic process / lamellipodium / heart development / cell body / protease binding / scaffold protein binding / response to ethanol / angiogenesis / response to lipopolysaccharide / cellular response to hypoxia / mitochondrial outer membrane / cytoskeleton / positive regulation of ERK1 and ERK2 cascade / positive regulation of canonical NF-kappaB signal transduction / positive regulation of cell migration / positive regulation of apoptotic process
Similarity search - Function
Caspase-8 / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site / Caspase family cysteine active site. ...Caspase-8 / Death effector domain / Death effector domain / Death effector domain (DED) profile. / Death effector domain / Peptidase family C14A, His active site / Caspase family histidine active site. / Peptidase C14, caspase non-catalytic subunit p10 / Peptidase family C14A, cysteine active site / Caspase family cysteine active site. / Caspase family p10 domain profile. / Peptidase C14A, caspase catalytic domain / Caspase, interleukin-1 beta converting enzyme (ICE) homologues / Peptidase C14, p20 domain / Caspase family p20 domain profile. / : / Caspase domain / Caspase-like domain superfamily / Death-like domain superfamily
Similarity search - Domain/homology
CASP8 and FADD-like apoptosis regulator / Caspase-8
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsLin, S.-C. / Yang, C.-Y.
Funding support Taiwan, 1items
OrganizationGrant numberCountry
Other government Taiwan
CitationJournal: Nat Commun / Year: 2024
Title: Reverse hierarchical DED assembly in the cFLIP-procaspase-8 and cFLIP-procaspase-8-FADD complexes.
Authors: Chao-Yu Yang / Yi-Chun Tseng / Yi-Fan Tu / Bai-Jiun Kuo / Li-Chung Hsu / Chia-I Lien / You-Sheng Lin / Yin-Ting Wang / Yen-Chen Lu / Tsung-Wei Su / Yu-Chih Lo / Su-Chang Lin /
Abstract: cFLIP, a master anti-apoptotic regulator, targets the FADD-induced DED complexes of procaspase-8 in death receptor and ripoptosome signaling pathways. Several tumor cells maintain relatively high ...cFLIP, a master anti-apoptotic regulator, targets the FADD-induced DED complexes of procaspase-8 in death receptor and ripoptosome signaling pathways. Several tumor cells maintain relatively high levels of cFLIP in achieving their immortality. However, understanding the three-dimensional regulatory mechanism initiated or mediated by elevated levels of cFLIP has been limited by the absence of the atomic coordinates for cFLIP-induced DED complexes. Here we report the crystal plus cryo-EM structures to uncover an unconventional mechanism where cFLIP and procaspase-8 autonomously form a binary tandem DED complex, independent of FADD. This complex gains the ability to recruit FADD, thereby allosterically modulating cFLIP assembly and partially activating caspase-8 for RIPK1 cleavage. Our structure-guided mutagenesis experiments provide critical insights into these regulatory mechanisms, elucidating the resistance to apoptosis and necroptosis in achieving immortality. Finally, this research offers a unified model for the intricate bidirectional hierarchy-based processes using multiprotein helical assembly to govern cell fate decisions.
History
DepositionMar 8, 2024Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Oct 30, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
C: Caspase-8 subunit p10
B: Caspase-8 subunit p10
A: Caspase-8 subunit p10
D: Caspase-8 subunit p10
H: CASP8 and FADD-like apoptosis regulator subunit p43
G: CASP8 and FADD-like apoptosis regulator subunit p43
F: CASP8 and FADD-like apoptosis regulator subunit p43
K: CASP8 and FADD-like apoptosis regulator subunit p43
I: CASP8 and FADD-like apoptosis regulator subunit p43
J: CASP8 and FADD-like apoptosis regulator subunit p43
M: CASP8 and FADD-like apoptosis regulator subunit p43
O: CASP8 and FADD-like apoptosis regulator subunit p43
N: CASP8 and FADD-like apoptosis regulator subunit p43


Theoretical massNumber of molelcules
Total (without water)278,49313
Polymers278,49313
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration, light scattering
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)150.311, 158.640, 353.286
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222
Space group name HallI22
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 3 through 4 or resid 6...
d_2ens_1(chain "B" and (resid 3 through 4 or resid 6...
d_3ens_1(chain "C" and (resid 3 through 4 or resid 6...
d_4ens_1(chain "D" and (resid 3 through 4 or resid 6...
d_1ens_2(chain "F" and (resid 2 through 3 or resid 5...
d_2ens_2(chain "G" and (resid 2 through 3 or resid 5...
d_3ens_2(chain "H" and (resid 2 through 3 or resid 5...
d_4ens_2(chain "I" and (resid 2 through 3 or resid 5...
d_5ens_2(chain "J" and (resid 2 through 3 or resid 5...
d_6ens_2(chain "K" and (resid 2 through 3 or resid 5...
d_7ens_2(chain "M" and (resid 2 through 3 or resid 5...
d_8ens_2(chain "N" and (resid 2 through 3 or resid 5...
d_9ens_2(chain "O" and (resid 2 through 3 or resid 5...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1PHEPHESERSERAC3 - 43 - 4
d_12ens_1ASNASNGLNGLNAC6 - 466 - 46
d_13ens_1LEULEUGLUGLUAC48 - 8748 - 87
d_14ens_1GLUGLUGLYGLYAC89 - 9489 - 94
d_15ens_1ALAALASERSERAC96 - 11396 - 113
d_16ens_1SERSERLEULEUAC115 - 117115 - 117
d_17ens_1SERSERSERSERAC119 - 129119 - 129
d_18ens_1CYSCYSGLYGLYAC131 - 155131 - 155
d_19ens_1LEULEULEULEUAC157 - 160157 - 160
d_110ens_1ARGARGALAALAAC162 - 165162 - 165
d_111ens_1ILEILEASNASNAC167 - 168167 - 168
d_112ens_1SERSERGLUGLUAC170 - 180170 - 180
d_21ens_1PHEPHESERSERBB3 - 43 - 4
d_22ens_1ASNASNGLNGLNBB6 - 466 - 46
d_23ens_1LEULEUGLUGLUBB48 - 8748 - 87
d_24ens_1GLUGLUGLYGLYBB89 - 9489 - 94
d_25ens_1ALAALASERSERBB96 - 11396 - 113
d_26ens_1SERSERLEULEUBB115 - 117115 - 117
d_27ens_1SERSERSERSERBB119 - 129119 - 129
d_28ens_1CYSCYSGLYGLYBB131 - 155131 - 155
d_29ens_1LEULEULEULEUBB157 - 160157 - 160
d_210ens_1ARGARGALAALABB162 - 165162 - 165
d_211ens_1ILEILEASNASNBB167 - 168167 - 168
d_212ens_1SERSERGLUGLUBB170 - 180170 - 180
d_31ens_1PHEPHESERSERCA3 - 43 - 4
d_32ens_1ASNASNGLNGLNCA6 - 466 - 46
d_33ens_1LEULEUGLUGLUCA48 - 8748 - 87
d_34ens_1GLUGLUGLYGLYCA89 - 9489 - 94
d_35ens_1ALAALASERSERCA96 - 11396 - 113
d_36ens_1SERSERLEULEUCA115 - 117115 - 117
d_37ens_1SERSERSERSERCA119 - 129119 - 129
d_38ens_1CYSCYSGLYGLYCA131 - 155131 - 155
d_39ens_1LEULEULEULEUCA157 - 160157 - 160
d_310ens_1ARGARGALAALACA162 - 165162 - 165
d_311ens_1ILEILEASNASNCA167 - 168167 - 168
d_312ens_1SERSERGLUGLUCA170 - 180170 - 180
d_41ens_1PHEPHESERSERDD3 - 43 - 4
d_42ens_1ASNASNGLNGLNDD6 - 466 - 46
d_43ens_1LEULEUGLUGLUDD48 - 8748 - 87
d_44ens_1GLUGLUGLYGLYDD89 - 9489 - 94
d_45ens_1ALAALASERSERDD96 - 11396 - 113
d_46ens_1SERSERLEULEUDD115 - 117115 - 117
d_47ens_1SERSERSERSERDD119 - 129119 - 129
d_48ens_1CYSCYSGLYGLYDD131 - 155131 - 155
d_49ens_1LEULEULEULEUDD157 - 160157 - 160
d_410ens_1ARGARGALAALADD162 - 165162 - 165
d_411ens_1ILEILEASNASNDD167 - 168167 - 168
d_412ens_1SERSERGLUGLUDD170 - 180170 - 180
d_11ens_2SERSERALAALAFG2 - 35 - 6
d_12ens_2VALVALILEILEFG5 - 68 - 9
d_13ens_2GLNGLNVALVALFG8 - 2811 - 31
d_14ens_2PROPROVALVALFG34 - 3737 - 40
d_15ens_2ASPASPGLUGLUFG39 - 4642 - 49
d_16ens_2GLYGLYGLYGLYFG4851
d_17ens_2LEULEUVALVALFG50 - 6253 - 65
d_18ens_2ARGARGLEULEUFG64 - 6867 - 71
d_19ens_2ARGARGLEULEUFG70 - 7273 - 75
d_110ens_2METMETASPASPFG74 - 7577 - 78
d_111ens_2ALAALALEULEUFG78 - 8481 - 87
d_112ens_2ASNASNALAALAFG86 - 9889 - 101
d_113ens_2ILEILEGLYGLYFG100 - 101103 - 104
d_114ens_2ASPASPASPASPFG103 - 105106 - 108
d_115ens_2SERSERMETMETFG107 - 120110 - 123
d_116ens_2SERSERILEILEFG130 - 168133 - 171
d_117ens_2TYRTYRSERSERFG171 - 174174 - 177
d_21ens_2SERSERALAALAGF2 - 35 - 6
d_22ens_2VALVALILEILEGF5 - 68 - 9
d_23ens_2GLNGLNVALVALGF8 - 2811 - 31
d_24ens_2PROPROVALVALGF34 - 3737 - 40
d_25ens_2ASPASPGLUGLUGF39 - 4642 - 49
d_26ens_2GLYGLYGLYGLYGF4851
d_27ens_2LEULEUVALVALGF50 - 6253 - 65
d_28ens_2ARGARGLEULEUGF64 - 6867 - 71
d_29ens_2ARGARGLEULEUGF70 - 7273 - 75
d_210ens_2METMETASPASPGF74 - 7577 - 78
d_211ens_2ALAALALEULEUGF78 - 8481 - 87
d_212ens_2ASNASNALAALAGF86 - 9889 - 101
d_213ens_2ILEILEGLYGLYGF100 - 101103 - 104
d_214ens_2ASPASPASPASPGF103 - 105106 - 108
d_215ens_2SERSERMETMETGF107 - 120110 - 123
d_216ens_2SERSERILEILEGF130 - 168133 - 171
d_217ens_2TYRTYRSERSERGF171 - 174174 - 177
d_31ens_2SERSERALAALAHE2 - 35 - 6
d_32ens_2VALVALILEILEHE5 - 68 - 9
d_33ens_2GLNGLNVALVALHE8 - 2811 - 31
d_34ens_2PROPROVALVALHE34 - 3737 - 40
d_35ens_2ASPASPGLUGLUHE39 - 4642 - 49
d_36ens_2GLYGLYGLYGLYHE4851
d_37ens_2LEULEUVALVALHE50 - 6253 - 65
d_38ens_2ARGARGLEULEUHE64 - 6867 - 71
d_39ens_2ARGARGLEULEUHE70 - 7273 - 75
d_310ens_2METMETASPASPHE74 - 7577 - 78
d_311ens_2ALAALALEULEUHE78 - 8481 - 87
d_312ens_2ASNASNALAALAHE86 - 9889 - 101
d_313ens_2ILEILEGLYGLYHE100 - 101103 - 104
d_314ens_2ASPASPASPASPHE103 - 105106 - 108
d_315ens_2SERSERMETMETHE107 - 120110 - 123
d_316ens_2SERSERILEILEHE130 - 168133 - 171
d_317ens_2TYRTYRSERSERHE171 - 174174 - 177
d_41ens_2SERSERALAALAII2 - 35 - 6
d_42ens_2VALVALILEILEII5 - 68 - 9
d_43ens_2GLNGLNVALVALII8 - 2811 - 31
d_44ens_2PROPROVALVALII34 - 3737 - 40
d_45ens_2ASPASPGLUGLUII39 - 4642 - 49
d_46ens_2GLYGLYGLYGLYII4851
d_47ens_2LEULEUVALVALII50 - 6253 - 65
d_48ens_2ARGARGLEULEUII64 - 6867 - 71
d_49ens_2ARGARGLEULEUII70 - 7273 - 75
d_410ens_2METMETASPASPII74 - 7577 - 78
d_411ens_2ALAALALEULEUII78 - 8481 - 87
d_412ens_2ASNASNALAALAII86 - 9889 - 101
d_413ens_2ILEILEGLYGLYII100 - 101103 - 104
d_414ens_2ASPASPASPASPII103 - 105106 - 108
d_415ens_2SERSERMETMETII107 - 120110 - 123
d_416ens_2SERSERILEILEII130 - 168133 - 171
d_417ens_2TYRTYRSERSERII171 - 174174 - 177
d_51ens_2SERSERALAALAJJ2 - 35 - 6
d_52ens_2VALVALILEILEJJ5 - 68 - 9
d_53ens_2GLNGLNVALVALJJ8 - 2811 - 31
d_54ens_2PROPROVALVALJJ34 - 3737 - 40
d_55ens_2ASPASPGLUGLUJJ39 - 4642 - 49
d_56ens_2GLYGLYGLYGLYJJ4851
d_57ens_2LEULEUVALVALJJ50 - 6253 - 65
d_58ens_2ARGARGLEULEUJJ64 - 6867 - 71
d_59ens_2ARGARGLEULEUJJ70 - 7273 - 75
d_510ens_2METMETASPASPJJ74 - 7577 - 78
d_511ens_2ALAALALEULEUJJ78 - 8481 - 87
d_512ens_2ASNASNALAALAJJ86 - 9889 - 101
d_513ens_2ILEILEGLYGLYJJ100 - 101103 - 104
d_514ens_2ASPASPASPASPJJ103 - 105106 - 108
d_515ens_2SERSERMETMETJJ107 - 120110 - 123
d_516ens_2SERSERILEILEJJ130 - 168133 - 171
d_517ens_2TYRTYRSERSERJJ171 - 174174 - 177
d_61ens_2SERSERALAALAKH2 - 35 - 6
d_62ens_2VALVALILEILEKH5 - 68 - 9
d_63ens_2GLNGLNVALVALKH8 - 2811 - 31
d_64ens_2PROPROVALVALKH34 - 3737 - 40
d_65ens_2ASPASPGLUGLUKH39 - 4642 - 49
d_66ens_2GLYGLYGLYGLYKH4851
d_67ens_2LEULEUVALVALKH50 - 6253 - 65
d_68ens_2ARGARGLEULEUKH64 - 6867 - 71
d_69ens_2ARGARGLEULEUKH70 - 7273 - 75
d_610ens_2METMETASPASPKH74 - 7577 - 78
d_611ens_2ALAALALEULEUKH78 - 8481 - 87
d_612ens_2ASNASNALAALAKH86 - 9889 - 101
d_613ens_2ILEILEGLYGLYKH100 - 101103 - 104
d_614ens_2ASPASPASPASPKH103 - 105106 - 108
d_615ens_2SERSERMETMETKH107 - 120110 - 123
d_616ens_2SERSERILEILEKH130 - 168133 - 171
d_617ens_2TYRTYRSERSERKH171 - 174174 - 177
d_71ens_2SERSERALAALAMK2 - 35 - 6
d_72ens_2VALVALILEILEMK5 - 68 - 9
d_73ens_2GLNGLNVALVALMK8 - 2811 - 31
d_74ens_2PROPROVALVALMK34 - 3737 - 40
d_75ens_2ASPASPGLUGLUMK39 - 4642 - 49
d_76ens_2GLYGLYGLYGLYMK4851
d_77ens_2LEULEUVALVALMK50 - 6253 - 65
d_78ens_2ARGARGLEULEUMK64 - 6867 - 71
d_79ens_2ARGARGLEULEUMK70 - 7273 - 75
d_710ens_2METMETASPASPMK74 - 7577 - 78
d_711ens_2ALAALALEULEUMK78 - 8481 - 87
d_712ens_2ASNASNALAALAMK86 - 9889 - 101
d_713ens_2ILEILEGLYGLYMK100 - 101103 - 104
d_714ens_2ASPASPASPASPMK103 - 105106 - 108
d_715ens_2SERSERMETMETMK107 - 120110 - 123
d_716ens_2SERSERILEILEMK130 - 168133 - 171
d_717ens_2TYRTYRSERSERMK171 - 174174 - 177
d_81ens_2SERSERALAALANM2 - 35 - 6
d_82ens_2VALVALILEILENM5 - 68 - 9
d_83ens_2GLNGLNVALVALNM8 - 2811 - 31
d_84ens_2PROPROVALVALNM34 - 3737 - 40
d_85ens_2ASPASPGLUGLUNM39 - 4642 - 49
d_86ens_2GLYGLYGLYGLYNM4851
d_87ens_2LEULEUVALVALNM50 - 6253 - 65
d_88ens_2ARGARGLEULEUNM64 - 6867 - 71
d_89ens_2ARGARGLEULEUNM70 - 7273 - 75
d_810ens_2METMETASPASPNM74 - 7577 - 78
d_811ens_2ALAALALEULEUNM78 - 8481 - 87
d_812ens_2ASNASNALAALANM86 - 9889 - 101
d_813ens_2ILEILEGLYGLYNM100 - 101103 - 104
d_814ens_2ASPASPASPASPNM103 - 105106 - 108
d_815ens_2SERSERMETMETNM107 - 120110 - 123
d_816ens_2SERSERILEILENM130 - 168133 - 171
d_817ens_2TYRTYRSERSERNM171 - 174174 - 177
d_91ens_2SERSERALAALAOL2 - 35 - 6
d_92ens_2VALVALILEILEOL5 - 68 - 9
d_93ens_2GLNGLNVALVALOL8 - 2811 - 31
d_94ens_2PROPROVALVALOL34 - 3737 - 40
d_95ens_2ASPASPGLUGLUOL39 - 4642 - 49
d_96ens_2GLYGLYGLYGLYOL4851
d_97ens_2LEULEUVALVALOL50 - 6253 - 65
d_98ens_2ARGARGLEULEUOL64 - 6867 - 71
d_99ens_2ARGARGLEULEUOL70 - 7273 - 75
d_910ens_2METMETASPASPOL74 - 7577 - 78
d_911ens_2ALAALALEULEUOL78 - 8481 - 87
d_912ens_2ASNASNALAALAOL86 - 9889 - 101
d_913ens_2ILEILEGLYGLYOL100 - 101103 - 104
d_914ens_2ASPASPASPASPOL103 - 105106 - 108
d_915ens_2SERSERMETMETOL107 - 120110 - 123
d_916ens_2SERSERILEILEOL130 - 168133 - 171
d_917ens_2TYRTYRSERSEROL171 - 174174 - 177

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.317872888146, 0.849910250727, -0.420249203081), (-0.879311719028, 0.430047322377, 0.20462209386), (0.354637459613, 0.304486233228, 0.88403642799)-20.7474657644, 265.944995141, -105.056757699
2given(-0.795113589468, 0.503377686832, -0.338238502012), (-0.580041433063, -0.468393347498, 0.666453005057), (0.177048907857, 0.726098186486, 0.664405830654)243.941825953, 367.872907321, -131.568295482
3given(-0.811923682328, -0.544187335117, 0.21128198781), (0.486037492548, -0.429704330889, 0.761000488734), (-0.323338042786, 0.720565286642, 0.613382570484)421.465274757, 166.530243696, -25.8292777656
4given(0.339216139084, 0.820588801915, -0.459963508505), (-0.844033182631, 0.481395043069, 0.236361585557), (0.415379823298, 0.308046799497, 0.855901145996)-17.6654676251, 249.725918994, -115.16616819
5given(-0.793400734153, 0.513138318337, -0.327420740487), (-0.584083552163, -0.490371836278, 0.646824447805), (0.171352499658, 0.704432060912, 0.688777026635)240.54107309, 373.727957384, -126.972039847
6given(-0.103529086583, -0.924191153303, 0.367630847982), (0.879899403905, 0.0872323257269, 0.467084104157), (-0.463744290788, 0.371834954657, 0.804164161883)359.681729747, 5.86842770291, 47.3678910801
7given(0.907963680383, -0.393247228157, 0.144770758969), (0.388796689623, 0.919428905407, 0.0590560923239), (-0.156330065066, 0.0026656049059, 0.987701273314)82.8306505655, -40.4204117432, 66.666352481
8given(0.717104248772, 0.617932957861, -0.322366803475), (-0.619726785597, 0.776963758597, 0.110752106257), (0.318904699883, 0.120358536944, 0.940113618121)-56.574752347, 175.198519949, -28.7524848236
9given(-0.106916440442, 0.838677803378, -0.534030352026), (-0.898411944834, 0.14860438128, 0.413246555031), (0.425939963074, 0.523962097853, 0.737589904941)65.2721120638, 297.785370032, -190.274930424
10given(-0.967879510966, 0.150139130858, -0.201661829898), (-0.251053396508, -0.620140761585, 0.743234571264), (-0.0134701282225, 0.76998940071, 0.637914475804)339.464404595, 316.625445483, -140.720070364
11given(-0.495355602333, -0.852237651217, 0.168267088537), (0.73544466678, -0.308341890792, 0.603362594537), (-0.462324528163, 0.422630174302, 0.779512518455)424.465709972, 87.1071102813, 10.9894204255

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Components

#1: Protein
Caspase-8 subunit p10


Mass: 22011.449 Da / Num. of mol.: 4 / Mutation: F122G, L123G
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CASP8, MCH5 / Production host: Escherichia coli (E. coli) / References: UniProt: Q14790
#2: Protein
CASP8 and FADD-like apoptosis regulator subunit p43 / cFLIP


Mass: 21160.756 Da / Num. of mol.: 9
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CFLAR, CASH, CASP8AP1, CLARP, MRIT / Production host: Escherichia coli (E. coli) / References: UniProt: O15519
Has ligand of interestY
Has protein modificationN

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 3.78 Å3/Da / Density % sol: 67.47 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop
Details: 0.1 M HEPES pH 7.5, 0.2 M Lithium chloride, 20 % PEG 400, 0.1 M TBG pH 9.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSRRC / Beamline: BL13B1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Feb 19, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.3→30 Å / Num. obs: 61626 / % possible obs: 96.8 % / Redundancy: 3.3 % / Biso Wilson estimate: 98.21 Å2 / Rmerge(I) obs: 0.093 / Net I/σ(I): 12.757
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2CC starRpim(I) allRrim(I) allΧ2% possible all
3.3-3.422.80.73959620.7750.9340.510.9030.89894.8
3.42-3.552.90.58260320.8690.9640.3940.7060.96695.9
3.55-3.723.10.48461040.910.9760.3160.5811.06896.8
3.72-3.913.30.34561800.9560.9890.2190.4111.07797.5
3.91-4.163.40.21661490.9840.9960.1350.2561.08697.4
4.16-4.483.40.16762260.9890.9970.1040.1971.06798.5
4.48-4.923.50.11262800.9940.9990.0690.1321.06298.6
4.92-5.633.60.163530.9940.9990.0610.1171.07899.2
5.63-7.083.50.08263360.9950.9990.050.0961.0998.6
7.08-303.40.03460040.99810.0220.0411.02690.4

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data scaling
HKL-2000data reduction
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.3→29.64 Å / SU ML: 0.4178 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 35.0467
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2643 3117 5.08 %
Rwork0.2183 58219 -
obs0.2207 61336 96.01 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 137.82 Å2
Refinement stepCycle: LAST / Resolution: 3.3→29.64 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms18608 0 0 0 18608
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002418800
X-RAY DIFFRACTIONf_angle_d0.562325192
X-RAY DIFFRACTIONf_chiral_restr0.03772946
X-RAY DIFFRACTIONf_plane_restr0.00363194
X-RAY DIFFRACTIONf_dihedral_angle_d11.66897530
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2CAX-RAY DIFFRACTIONTorsion NCS0.729462887967
ens_1d_3CAX-RAY DIFFRACTIONTorsion NCS0.81169785429
ens_1d_4CAX-RAY DIFFRACTIONTorsion NCS0.752069889676
ens_2d_2GFX-RAY DIFFRACTIONTorsion NCS0.958577111081
ens_2d_3GFX-RAY DIFFRACTIONTorsion NCS1.07614055803
ens_2d_4GFX-RAY DIFFRACTIONTorsion NCS1.0011619494
ens_2d_5GFX-RAY DIFFRACTIONTorsion NCS1.10809694932
ens_2d_6GFX-RAY DIFFRACTIONTorsion NCS1.44946139952
ens_2d_7GFX-RAY DIFFRACTIONTorsion NCS0.831849563191
ens_2d_8GFX-RAY DIFFRACTIONTorsion NCS0.787501223944
ens_2d_9GFX-RAY DIFFRACTIONTorsion NCS0.972134155649
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.3-3.350.38991310.36372366X-RAY DIFFRACTION87.71
3.35-3.40.40971210.35052605X-RAY DIFFRACTION94.95
3.4-3.460.38551360.34232605X-RAY DIFFRACTION94.65
3.46-3.520.33951500.3222600X-RAY DIFFRACTION95.72
3.52-3.590.33311410.31512618X-RAY DIFFRACTION96.3
3.59-3.660.37341370.30962616X-RAY DIFFRACTION96.53
3.66-3.740.33331340.29062650X-RAY DIFFRACTION96.87
3.74-3.830.34821460.27492686X-RAY DIFFRACTION97.22
3.83-3.930.27291460.25382626X-RAY DIFFRACTION96.65
3.93-4.030.34341240.24582640X-RAY DIFFRACTION96.64
4.03-4.150.25941600.2322651X-RAY DIFFRACTION96.66
4.15-4.280.3021460.20912666X-RAY DIFFRACTION97.4
4.28-4.440.28831520.20922691X-RAY DIFFRACTION98.03
4.44-4.610.27721340.19882695X-RAY DIFFRACTION97.79
4.61-4.820.24831460.18932686X-RAY DIFFRACTION97.93
4.82-5.080.25931290.19382742X-RAY DIFFRACTION98.8
5.08-5.390.27591310.20522755X-RAY DIFFRACTION99.07
5.39-5.810.291500.22662738X-RAY DIFFRACTION98.87
5.81-6.390.30471720.24022719X-RAY DIFFRACTION98.64
6.39-7.30.25911280.23132752X-RAY DIFFRACTION97.83
7.3-9.150.19081750.17242619X-RAY DIFFRACTION94.01
9.15-29.640.17381280.14572493X-RAY DIFFRACTION84.68
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)
15.42250697470.3728979466361.925522168631.93464508983-1.97109630924.19112472115-0.156995028216-0.7668094287830.9459556949360.5460607081040.4121720946240.416262135414-0.322907880545-0.566727798101-0.2099054070091.014519319630.05284616353540.1294750367213.00386575145-0.5947164144180.721012983625165.922781095194.82920471493.0868106021
21.54214804797-0.747979843017-2.278706223184.217079841322.661419324334.006944407790.2624307185740.08104176275530.5090268869770.738068298507-0.396330029665-0.318792045543-0.03088103318410.3833426664550.07098751497070.878037023769-0.02118624991230.1215285229013.59539060786-0.684014199595-0.792061207913179.343464376191.21553144788.4110280079
32.02205662982-0.888188136271.067876059713.39431726239-0.4516053222091.80018305830.499546489032-0.81759250052-0.7929874647660.3207519154240.2950839591151.146988070240.9516086763690.0132123627694-0.2242214644931.10683309948-0.02120191966470.3166875250163.65287695334-0.449621225840.308610386693168.570434506186.218302799.6587108436
44.394303131010.50681885217-2.39167086062.471441089130.1091537729251.39798024648-0.456494933847-0.1607103112780.9305978443910.02901425639730.4489249952720.140372982701-1.204270477110.2592792260620.01418155717811.23157507418-0.08951425811130.07643637009814.17591360546-0.9722191503531.04995708291189.918360798204.282778882103.735514611
50.546719828892-0.09469540752811.682680605582.264976489980.7909521208929.696814763970.487127536692-1.79483991837-0.8831857711570.139862642103-0.0002463820813640.281110788984-0.1582830008180.044778789592-0.328348707241.082521070070.1415407177610.0634057867824.1354455144-0.7003540376820.533185346158188.862896895191.913469922108.461119865
62.214156446971.217706368540.1053101159883.5828528496-2.328782259741.85541805285-0.0829370080429-1.1667999584-0.1153185790530.760777694450.3916224193210.08419645903860.04845490205650.279471968545-0.2406027567371.002145877580.0573704201553-0.01640780120672.88952813981-0.4931637321880.657278072699192.212503562188.86307796882.2164420228
77.644705078750.2860072290383.432990371424.062439583021.719354198597.57073260488-0.652828352863-0.08777823862380.752829847995-0.4106037245940.1062260078750.457535054239-1.081429343630.1559330181460.5431076269880.909419506863-0.0794092034395-0.2590601270213.13283089439-0.685603846370.709460341683197.898571259197.06188809771.6239942285
82.810999204341.139070062680.9277736136624.344451076020.8984386409675.20937845092-0.114436565069-0.518318496749-1.212930570970.3757349930960.5194514789350.1049866665620.3355806647290.00537128389169-0.1115254561740.9392722427990.00652584297096-0.1915172575333.5821610521-0.627732441253-0.353818091275201.121730162185.83200971284.5343966096
92.35980375614-0.9567648386170.07183092189075.72302300079-0.01229414069380.4665173609420.132955235021-0.2559737787830.239844588727-0.0929352655103-0.07218781421810.477624323401-0.4283904977730.822546894915-0.02994602191641.26900983374-0.25111028313-0.03478708331732.70812442101-0.4883678247260.90761861483201.346566288208.5840473383.2492545826
103.94840925331-0.1004092381681.670885983795.743957864090.8527909669288.23281298527-0.219521033794-1.127358679520.8872613261190.9639043725370.803185941542-1.31221899426-0.7188423365431.32434535374-0.5353668568211.22542324819-0.542177352539-0.05268100496872.80439430662-0.7740825569671.29780449279209.311422839214.28279020585.1617880478
111.799884931963.285805813172.763128157927.300064384212.948567737957.486134452180.0300608777185-2.114792981190.04265720701472.405135745950.201284562965-1.9503402520.1821377779641.75320190092-0.194647861071.40252781255-0.252949212268-0.3647654003692.63268761596-0.02814964833621.12011009194213.499585134206.99992347792.2949936571
125.97183006583-5.17469720541.027975319026.73468517709-2.198303049714.13774028212-0.599287707408-0.4573235213710.1471336599290.5797009045510.7551589014680.03148017532550.07147412302170.674958374833-0.1287542591770.902575130202-0.363106202535-0.05881245300312.56295681845-0.3284367660860.795757836552202.000910458204.9647134760.3509035458
139.062769796121.616725813660.06463356702116.0249704429-4.125631443687.716019350010.244383257311.78641114592-0.74565671086-0.6220859896520.337111348852-0.0449688748565-0.1930549593650.377290784848-0.5759299680410.903086759165-0.176537021279-0.04578487056422.13531417536-0.3711400943160.815912067776192.82983618210.08938040950.4524721832
147.976856594221.51424160174-5.008813508046.70429769069-6.256264124317.515759744290.6785787313881.12753490637-0.493080680048-1.01845301419-0.2219492156240.6312927057621.17965625973-0.685493844876-0.2404866101130.915514328217-0.296127114717-0.05381396642792.41371564219-0.5821594881641.02316526266200.713543996204.71404092850.5278310178
157.8533920579-2.061145744342.287618234874.06303458172-3.109577394915.87630099883-0.2389399725590.6082345407141.25505516211-0.11386047863-0.612340666553-0.732495892072-0.0670223742936-0.07855068712220.8409639625271.03100076499-0.451219025264-0.07785184121911.94960093632-0.3273885665861.00759477191208.120351224212.49338666553.376316568
162.03001905321-1.473058266550.6564319485696.19058042013-1.700533720841.62418718813-0.450874122893-1.014811425641.099194959580.5642948951080.0632276432208-1.23824996021-1.256682992611.302686990550.4498816111051.38009983173-0.543581953349-0.1530388431252.79143424157-0.4404281585551.24635016621206.418489299218.70416746562.1523793514
172.01203894362-3.206266369985.694573843249.334605436472.687855155275.52553816235-0.943460843578-2.4099469330.3542854851682.158022412481.14184636017-0.0828224629484-2.393277496050.791630065112-0.1219938750242.07106871917-0.1911201396220.09395082365472.53956909473-0.5078935127861.11859786861182.542057046221.53570801170.7155610783
186.42629968348-2.67921134612.327104504751.34071656408-1.396054714872.304248804540.312038938549-1.16206261676-0.8103941908061.166867796850.827446792361.84639915801-0.734706241957-0.456066695607-1.124096377871.591382468380.04007954038190.5423337287192.57662441062-0.3084414082151.95457911092176.476489635218.9756837361.0465884108
199.36759277332-0.6814469786995.139735463759.75699833449-3.201014154843.64589056145-1.19976256562-1.262265274051.509057641831.80602176530.822976605728-1.05634997944-1.314843745190.07196394167240.3087357713571.343014744030.0128583626976-0.2076051688511.67317554223-0.4094976783931.13424705566185.428266515227.08048314159.1900325732
205.92772451986-3.033378648310.5527183296922.53651832896-0.1103644360070.0811960205831-0.576445390475-2.730660384611.835685388080.346452031030.740892718915-0.668803646739-0.133188148185-0.963841527823-0.07427090335851.24833411355-0.00438589972192-0.3355720892592.20752073129-0.2015511999741.51525284203195.394242717233.67720523265.2496026894
216.215225759451.849913371782.171516432172.921735312132.281667609692.8472888314-0.8556900805550.1590246105482.075238884290.2023429368890.936024396844-0.735529831711-1.292863102971.42627306241-0.04647161245591.60437442495-0.3544217426720.007931352095151.98558807357-0.3833755587711.55438380255156.687962858226.57428224887.0451937275
227.17376697106-2.263545534662.930602410424.63366222605-7.482888324522.00892941333-1.34845834562-0.4016550303430.5648798593111.62537273704-0.209154047159-0.136409434674-0.983976203760.5768780907881.259024925581.1346533469-0.09085913678970.1118862985323.04595956215-0.8255687290481.22494565702161.018517279217.699163443100.34476279
234.52964471726-1.800966442131.456565947447.95435468831-3.92833811163.82673841752-0.257579360980.3402351058860.1370856973-0.667880537341-0.251199450389-0.5341094479980.3104055070170.1149142668750.6040938840371.01585071146-0.07084972910710.1881574120572.98756125487-0.6382295700611.19785157169159.834209567210.97409099191.5556323612
242.60939611815-0.5394576099480.230700148444.42438116897-1.47660605744.20632454304-0.243571545828-0.3185442755890.4545644859490.4122874793390.1887402532350.300446415129-0.484496337922-0.1440834729190.02957081948460.9007419815840.009682060819690.08582370923462.67051941737-0.589669021731.15354727876147.996473311219.346617598100.017664941
256.88396980389-3.296529818056.288546020227.88153186978-6.827843008728.03961763814-0.770804380842-0.9987951075111.474171446331.02011638401-0.127942143998-0.596916936166-1.7755974141.15254250420.7714685731981.38306172560.254964647805-0.241721764624.38953067742-0.9394697105631.32196850193167.76246246213.241954506118.226849345
265.44994347921-1.487733539151.343619593477.4175053056-0.7048758272190.373270707138-0.10979074877-0.4794041596160.4211469530051.09695220381-0.472874981221-0.482857231433-0.150533022003-0.05055889101950.4277257588451.183127274920.07475119266410.1596842536833.06137627466-0.5543735108910.91488237287168.1433587204.717513599110.793860968
273.679297557292.565782280063.591814891282.096055706583.14397577783.6740893953-0.217226895979-1.403912065030.9059907501261.89034309598-0.104593711661.165449234281.06400800212-0.2903988808130.198901346441.59705972747-0.04154554908050.1739230774522.99251781829-0.4658576371491.18850050422157.537993191203.511520297117.896223886
289.16174856711-1.48933106907-1.21228817157.63945000698-4.099975219052.66392685586-1.2819628204-0.609324406683-0.340313355611.736080629390.7982673423730.91406053035-1.04510499545-1.857171284060.3344875681831.263883688670.3030085346440.2741679328783.17523594606-0.64861542771.24490169074148.499529672210.552339086118.381930216
299.28560667584-4.1294946039-6.8427973486.647848980070.38839184412.00800240792-0.351430910965-0.07101243345510.306297919380.420381519930.0473417825711-0.3261624356950.3234162064871.077605808160.3275994117340.964884310967-0.133821296692-0.1393696840132.22718641326-0.318443168890.819589573706204.07329061197.29468670429.0635083635
305.402823032-7.375295246291.239276448162.01426890129-1.299320214733.66493025001-0.303764363290.04519677296470.251382936635-0.49571553079-0.244144700067-0.994997157675-0.5060665224741.129820043420.3940181627750.972365791091-0.4352657893050.08758302902512.40985731554-0.03044807133220.973352930701191.084223156204.41294670833.0253733708
315.586425035290.701589185308-2.894216627218.592825194080.976615096191.708566658470.4231703400841.909439925510.0749085634089-2.0933015944-0.0287157239578-0.0287620709422-0.825395129981.15521509472-0.3185216993691.54243833774-0.194338593801-0.01120830879152.54383784395-0.1421953704740.793262160026187.888134314203.74329566921.9326074342
328.20438717794-2.04320748462.244714438315.753029222430.01663070873973.913503112950.700645289719-0.1109604212240.301203021695-0.586613135815-0.72766133882-0.259395308276-0.4309829205351.06692871688-0.07879408953170.908427961703-0.4605628415980.0838124424562.03688911293-0.1556593177450.767746314635198.916521979205.42516246324.52381092
338.32006909894-3.6875973102-7.250548242123.96944929412.92942135168.69635782179-0.161728949277-1.142931076731.025181109780.4383368382750.145958455436-0.662852137371-0.3337577245252.06524215739-0.03713746166211.12144674578-0.547041588481-0.09909054289032.91175308806-0.2607718268961.08926831142206.433987378207.09475788736.2565710546
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823.889751698554.763025750630.5477403526255.93447348745-0.110988046455.358122630960.13526361742.05221215836-1.33666486520.542725476770.45303024901-1.777316078060.435707468004-0.709004443396-0.6684921271981.531254738750.2906898674470.1042871524872.21606868312-0.4625054490381.29938866288212.222680245155.22440721628.5760899109
833.33639638321-2.93525939396-0.7082749186129.701863583723.318714113391.20568755985-0.304010291958-0.3520886193990.0513567699319-0.2874723696920.752867573096-0.1893541444860.350991230172-0.37412165546-0.4504837278391.144321301830.030253256245-0.03407240234692.61599066932-0.107808629150.694327712694204.989906895180.50474835225.6208895421
842.4973285574-0.777448955727-0.02295476567352.663442824621.29837946913.2960725221-0.07406216780760.4731980176320.00248949530326-0.7384140158870.069302479227-0.1113514456490.1406425090220.114627552922-0.04021430088861.07381097012-0.1525359239930.002079749939652.56917336732-0.3208693553340.85719552434209.730635876180.40904591224.5352083972
857.20182627626-5.773611851596.847304666756.53985960598-6.531365559637.022016368850.413751269841.03427953199-0.440735388393-1.04821739297-0.168648273912-0.05861102789211.39603113476-0.403242424671-0.2637734844021.1679537951-0.2631869459770.2080609405932.58352392254-0.2923723819980.875777640815205.745774304176.740791109-1.84245112088
864.6585275605-3.121998065510.07629985031687.89245913325-1.69017568882.886908271920.3031739640211.592757180720.324350596755-1.35074399486-0.477247195209-0.6633927227820.2143300840381.040456755690.1024777790781.23264305557-0.2444907309510.214593754152.74688730896-0.1239135175190.826154881233212.391442544182.652607996-3.95361498995
876.18934367911-3.450485024-3.694543882877.94216454590.7397292012395.055609908870.1183169460270.1143412702220.105128322476-0.319248618267-0.328576858261-0.308103938699-0.04321238658670.9345820289660.06279706141480.921852931131-0.3165781185930.03463665087072.39373543495-0.1268649222860.742564275279192.2229516193.541591219-0.490952454295
888.23010066888-1.65673869119-1.249057164846.70129272586-1.97686979625.42571945358-0.123178428512-1.692174968691.402229247320.329937018570.117952566496-0.31039737434-0.366442866845-0.7845882491060.01614834115850.856281060492-0.3088032910560.01816955665211.97441117115-0.168948585990.871506527574198.040359529203.8508140263.61680409557
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'C' and (resid 2 through 25 )CA2 - 251 - 24
22chain 'C' and (resid 26 through 40 )CA26 - 4025 - 39
33chain 'C' and (resid 41 through 110 )CA41 - 11040 - 109
44chain 'C' and (resid 111 through 138 )CA111 - 138110 - 137
55chain 'C' and (resid 139 through 180 )CA139 - 180138 - 179
66chain 'B' and (resid 2 through 25 )BB2 - 251 - 24
77chain 'B' and (resid 26 through 40 )BB26 - 4025 - 39
88chain 'B' and (resid 41 through 90 )BB41 - 9040 - 89
99chain 'B' and (resid 91 through 149 )BB91 - 14990 - 148
1010chain 'B' and (resid 150 through 168 )BB150 - 168149 - 167
1111chain 'B' and (resid 169 through 182 )BB169 - 182168 - 181
1212chain 'A' and (resid 2 through 25 )AC2 - 251 - 24
1313chain 'A' and (resid 26 through 40 )AC26 - 4025 - 39
1414chain 'A' and (resid 41 through 50 )AC41 - 5040 - 49
1515chain 'A' and (resid 51 through 68 )AC51 - 6850 - 67
1616chain 'A' and (resid 69 through 111 )AC69 - 11168 - 110
1717chain 'A' and (resid 112 through 123 )AC112 - 123111 - 122
1818chain 'A' and (resid 124 through 138 )AC124 - 138123 - 137
1919chain 'A' and (resid 139 through 168 )AC139 - 168138 - 167
2020chain 'A' and (resid 169 through 180 )AC169 - 180168 - 179
2121chain 'D' and (resid 2 through 13 )DD2 - 131 - 12
2222chain 'D' and (resid 14 through 25 )DD14 - 2513 - 24
2323chain 'D' and (resid 26 through 50 )DD26 - 5025 - 49
2424chain 'D' and (resid 51 through 111 )DD51 - 11150 - 110
2525chain 'D' and (resid 112 through 123 )DD112 - 123111 - 122
2626chain 'D' and (resid 124 through 149 )DD124 - 149123 - 148
2727chain 'D' and (resid 150 through 168 )DD150 - 168149 - 167
2828chain 'D' and (resid 169 through 182 )DD169 - 182168 - 181
2929chain 'H' and (resid 1 through 12 )HE1 - 121 - 12
3030chain 'H' and (resid 13 through 26 )HE13 - 2613 - 26
3131chain 'H' and (resid 27 through 36 )HE27 - 3627 - 36
3232chain 'H' and (resid 37 through 61 )HE37 - 6137 - 61
3333chain 'H' and (resid 62 through 75 )HE62 - 7562 - 75
3434chain 'H' and (resid 76 through 91 )HE76 - 9176 - 91
3535chain 'H' and (resid 92 through 117 )HE92 - 11792 - 117
3636chain 'H' and (resid 118 through 130 )HE118 - 130118 - 130
3737chain 'H' and (resid 131 through 149 )HE131 - 149131 - 149
3838chain 'H' and (resid 150 through 175 )HE150 - 175150 - 175
3939chain 'G' and (resid 0 through 75 )GF0 - 751 - 76
4040chain 'G' and (resid 76 through 91 )GF76 - 9177 - 92
4141chain 'G' and (resid 92 through 161 )GF92 - 16193 - 162
4242chain 'G' and (resid 162 through 175 )GF162 - 175163 - 176
4343chain 'F' and (resid 0 through 14 )FG0 - 141 - 15
4444chain 'F' and (resid 15 through 26 )FG15 - 2616 - 27
4545chain 'F' and (resid 27 through 46 )FG27 - 4628 - 44
4646chain 'F' and (resid 47 through 61 )FG47 - 6145 - 59
4747chain 'F' and (resid 62 through 75 )FG62 - 7560 - 73
4848chain 'F' and (resid 76 through 91 )FG76 - 9174 - 89
4949chain 'F' and (resid 92 through 105 )FG92 - 10590 - 103
5050chain 'F' and (resid 106 through 119 )FG106 - 119104 - 117
5151chain 'F' and (resid 120 through 130 )FG120 - 130118 - 124
5252chain 'F' and (resid 131 through 140 )FG131 - 140125 - 134
5353chain 'F' and (resid 141 through 149 )FG141 - 149135 - 143
5454chain 'F' and (resid 150 through 161 )FG150 - 161144 - 155
5555chain 'F' and (resid 162 through 175 )FG162 - 175156 - 169
5656chain 'K' and (resid 1 through 61 )KH1 - 611 - 61
5757chain 'K' and (resid 62 through 91 )KH62 - 9162 - 91
5858chain 'K' and (resid 92 through 174 )KH92 - 17492 - 169
5959chain 'I' and (resid 1 through 12 )II1 - 121 - 12
6060chain 'I' and (resid 13 through 26 )II13 - 2613 - 26
6161chain 'I' and (resid 27 through 46 )II27 - 4627 - 43
6262chain 'I' and (resid 47 through 61 )II47 - 6144 - 58
6363chain 'I' and (resid 62 through 91 )II62 - 9159 - 88
6464chain 'I' and (resid 92 through 120 )II92 - 12089 - 117
6565chain 'I' and (resid 121 through 130 )II121 - 130118 - 127
6666chain 'I' and (resid 131 through 141 )II131 - 141128 - 138
6767chain 'I' and (resid 142 through 149 )II142 - 149139 - 146
6868chain 'I' and (resid 150 through 161 )II150 - 161147 - 158
6969chain 'I' and (resid 162 through 175 )II162 - 175159 - 172
7070chain 'J' and (resid 1 through 12 )JJ1 - 121 - 12
7171chain 'J' and (resid 13 through 26 )JJ13 - 2613 - 26
7272chain 'J' and (resid 27 through 91 )JJ27 - 9127 - 91
7373chain 'J' and (resid 92 through 120 )JJ92 - 12092 - 120
7474chain 'J' and (resid 121 through 161 )JJ121 - 161121 - 159
7575chain 'J' and (resid 162 through 175 )JJ162 - 175160 - 173
7676chain 'M' and (resid 1 through 26 )MK1 - 261 - 26
7777chain 'M' and (resid 27 through 36 )MK27 - 3627 - 36
7878chain 'M' and (resid 37 through 91 )MK37 - 9137 - 91
7979chain 'M' and (resid 92 through 175 )MK92 - 17592 - 169
8080chain 'O' and (resid 1 through 36 )OL1 - 361 - 36
8181chain 'O' and (resid 37 through 75 )OL37 - 7537 - 75
8282chain 'O' and (resid 76 through 91 )OL76 - 9176 - 91
8383chain 'O' and (resid 92 through 120 )OL92 - 12092 - 120
8484chain 'O' and (resid 121 through 175 )OL121 - 175121 - 175
8585chain 'N' and (resid 1 through 26 )NM1 - 261 - 26
8686chain 'N' and (resid 27 through 91 )NM27 - 9127 - 91
8787chain 'N' and (resid 92 through 149 )NM92 - 14992 - 146
8888chain 'N' and (resid 150 through 175 )NM150 - 175147 - 172

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