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- PDB-9b7b: Crystal structure of humanized 44H10 Fab Version 22 in complex wi... -

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Basic information

Entry
Database: PDB / ID: 9b7b
TitleCrystal structure of humanized 44H10 Fab Version 22 in complex with HLA-DR (HLA-DRA*01:01/HLA-DRB1*04:01)
Components
  • (h44H10-V22 Antibody, ...) x 2
  • HLA class II histocompatibility antigen, DR alpha chain
  • Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain
KeywordsIMMUNE SYSTEM / Antibody / Humanized / MHC class II
Function / homology
Function and homology information


myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / positive regulation of memory T cell differentiation / transport vesicle membrane ...myeloid dendritic cell antigen processing and presentation / antigen processing and presentation of endogenous peptide antigen via MHC class II / autolysosome membrane / regulation of T-helper cell differentiation / positive regulation of CD4-positive, CD25-positive, alpha-beta regulatory T cell differentiation / MHC class II receptor activity / positive regulation of CD4-positive, alpha-beta T cell activation / antigen processing and presentation of peptide or polysaccharide antigen via MHC class II / positive regulation of memory T cell differentiation / transport vesicle membrane / Translocation of ZAP-70 to Immunological synapse / Phosphorylation of CD3 and TCR zeta chains / polysaccharide binding / Generation of second messenger molecules / immunological synapse / Co-inhibition by PD-1 / T cell receptor binding / MHC class II antigen presentation / trans-Golgi network membrane / lumenal side of endoplasmic reticulum membrane / peptide antigen assembly with MHC class II protein complex / MHC class II protein complex / clathrin-coated endocytic vesicle membrane / ER to Golgi transport vesicle membrane / antigen processing and presentation of exogenous peptide antigen via MHC class II / positive regulation of immune response / peptide antigen binding / positive regulation of T cell mediated cytotoxicity / positive regulation of T cell activation / cognition / Interferon gamma signaling / MHC class II protein complex binding / endocytic vesicle membrane / late endosome membrane / Downstream TCR signaling / early endosome membrane / adaptive immune response / lysosome / immune response / Golgi membrane / lysosomal membrane / cell surface / extracellular exosome / plasma membrane
Similarity search - Function
MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set ...MHC class II, alpha chain, N-terminal / Class II histocompatibility antigen, alpha domain / Class II histocompatibility antigen, alpha domain / MHC class II, alpha/beta chain, N-terminal / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
HLA class II histocompatibility antigen, DR alpha chain
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.08 Å
AuthorsKassardjian, A. / Julien, J.P.
Funding support Canada, 1items
OrganizationGrant numberCountry
Canadian Institutes of Health Research (CIHR)PJT-148811 Canada
CitationJournal: Antibodies / Year: 2024
Title: Humanization of Pan-HLA-DR mAb 44H10 Hinges on Critical Residues in the Antibody Framework.
Authors: Kassardjian, A. / Ivanochko, D. / Barber, B. / Jetha, A. / Julien, J.P.
History
DepositionMar 27, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 7, 2024Provider: repository / Type: Initial release
Revision 1.1Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class II histocompatibility antigen, DR alpha chain
B: Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain
C: h44H10-V22 Antibody, heavy chain
D: h44H10-V22 Antibody, light chain
E: HLA class II histocompatibility antigen, DR alpha chain
F: Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain
G: h44H10-V22 Antibody, heavy chain
H: h44H10-V22 Antibody, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)191,26214
Polymers190,1858
Non-polymers1,0776
Water00
1
A: HLA class II histocompatibility antigen, DR alpha chain
B: Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain
C: h44H10-V22 Antibody, heavy chain
D: h44H10-V22 Antibody, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,6317
Polymers95,0924
Non-polymers5383
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: HLA class II histocompatibility antigen, DR alpha chain
F: Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain
G: h44H10-V22 Antibody, heavy chain
H: h44H10-V22 Antibody, light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)95,6317
Polymers95,0924
Non-polymers5383
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)169.586, 178.801, 178.359
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number23
Space group name H-MI222
Space group name HallI22
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z
#4: -x,-y,z
#5: x+1/2,y+1/2,z+1/2
#6: x+1/2,-y+1/2,-z+1/2
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 4 through 32 or resid 34 through 188))
d_2ens_1(chain "E" and (resid 4 through 32 or resid 34 through 188))
d_1ens_2(chain "B" and (resid 2 through 3 or resid 5...
d_2ens_2(chain "F" and (resid 2 through 3 or resid 5...
d_1ens_3(chain "C" and (resid 1 through 200 or resid 202 through 214))
d_2ens_3(chain "G" and (resid 1 through 200 or resid 202 through 214))
d_1ens_4(chain "D" and (resid 1 through 121 or resid 123 through 301))
d_2ens_4(chain "H" and (resid 1 through 121 or resid 123 through 301))

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_1GLUGLUPHEPHEAA4 - 324 - 32
d_12ens_1VALVALLEULEUAA34 - 18734 - 187
d_13ens_1NAGNAGNAGNAGAI201
d_21ens_1GLUGLUPHEPHEEE4 - 324 - 32
d_22ens_1VALVALLEULEUEE34 - 18734 - 187
d_23ens_1NAGNAGNAGNAGEL201
d_11ens_2ALAALAPROPROBB2 - 32 - 3
d_12ens_2TYRTYRARGARGBB5 - 505 - 50
d_13ens_2ARGARGLYSLYSBB52 - 9852 - 98
d_14ens_2ALAALAALAALABB100 - 131100 - 131
d_15ens_2LEULEUALAALABB141 - 217141 - 217
d_21ens_2ALAALAPROPROFF2 - 32 - 3
d_22ens_2TYRTYRARGARGFF5 - 505 - 50
d_23ens_2ARGARGLYSLYSFF52 - 9852 - 98
d_24ens_2ALAALAALAALAFF100 - 217100 - 217
d_11ens_3GLNGLNHISHISCC1 - 2001 - 207
d_12ens_3PROPROLYSLYSCC202 - 214209 - 221
d_21ens_3GLNGLNHISHISGG1 - 2001 - 207
d_22ens_3PROPROLYSLYSGG202 - 214209 - 221
d_11ens_4ASPASPSERSERDD1 - 1211 - 121
d_12ens_4GLUGLUARGARGDD123 - 211123 - 211
d_13ens_4SO4SO4SO4SO4DK301
d_21ens_4ASPASPSERSERHH1 - 1211 - 121
d_22ens_4GLUGLUARGARGHH123 - 211123 - 211
d_23ens_4SO4SO4SO4SO4HN301

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4

NCS oper:
IDCodeMatrixVector
1given(-0.550368892344, -0.834736731646, 0.0175690404026), (-0.834640336488, 0.55060781814, 0.0143714755377), (-0.0216700495222, -0.00675421672039, -0.999742361566)-0.668216954045, 0.0477591877442, 60.5270202025
2given(-0.555980761855, -0.831079747103, 0.0138508628655), (-0.830842234528, 0.556153075521, 0.0198730449016), (-0.0242192851123, -0.000458851208513, -0.99970656479)-0.549601479216, -0.286054146138, 60.4897124942
3given(-0.540943321253, -0.841011180664, -0.00897313710651), (-0.840727557775, 0.540399830708, 0.0338407530837), (-0.0236113699322, 0.0258498930119, -0.999386955209)0.408221710381, -0.076860993307, 58.7983014766
4given(-0.546926885484, -0.837170943994, 0.00397397381696), (-0.836166443141, 0.546491884921, 0.0466079293738), (-0.0411905486733, 0.0221682260996, -0.998905355102)-0.465315248243, -0.819124707614, 58.8580988195

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Components

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Protein , 2 types, 4 molecules AEBF

#1: Protein HLA class II histocompatibility antigen, DR alpha chain / MHC class II antigen DRA


Mass: 22124.912 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRA, HLA-DRA1 / Production host: Homo sapiens (human) / References: UniProt: P01903
#2: Protein Hemagglutinin HA1 chain, HLA class II histocompatibility antigen DR beta chain


Mass: 25935.773 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-DRB1 / Production host: Homo sapiens (human)

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Antibody , 2 types, 4 molecules CGDH

#3: Antibody h44H10-V22 Antibody, heavy chain


Mass: 23537.508 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)
#4: Antibody h44H10-V22 Antibody, light chain


Mass: 23494.213 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human)

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Sugars / Non-polymers , 2 types, 6 molecules

#5: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#6: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4

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Details

Has ligand of interestN
Has protein modificationY

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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: 3.55 Å3/Da / Density % sol: 65.4 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / Details: 20% (w/v) PEG 6000, 0.1 M citric acid, pH 4.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.95357 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Nov 1, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95357 Å / Relative weight: 1
ReflectionResolution: 3.08→47.6 Å / Num. obs: 29589 / % possible obs: 93 % / Redundancy: 13.6 % / Biso Wilson estimate: 72.25 Å2 / CC1/2: 0.977 / Net I/σ(I): 7.8
Reflection shellResolution: 3.08→3.36 Å / Num. unique obs: 1974 / CC1/2: 0.47

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
autoPROCdata processing
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.08→47.56 Å / SU ML: 0.3748 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.5787
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2368 1495 5.06 %
Rwork0.1997 28065 -
obs0.2017 29560 58.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 77.03 Å2
Refinement stepCycle: LAST / Resolution: 3.08→47.56 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12812 0 66 0 12878
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003713198
X-RAY DIFFRACTIONf_angle_d0.805817966
X-RAY DIFFRACTIONf_chiral_restr0.05312014
X-RAY DIFFRACTIONf_plane_restr0.00882298
X-RAY DIFFRACTIONf_dihedral_angle_d5.62391783
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.477062042869
ens_2d_2BBX-RAY DIFFRACTIONTorsion NCS0.783794898021
ens_3d_2CCX-RAY DIFFRACTIONTorsion NCS0.570316590701
ens_4d_2DDX-RAY DIFFRACTIONTorsion NCS0.545242942909
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.08-3.180.3384120.338213X-RAY DIFFRACTION5.02
3.18-3.30.4183470.3218897X-RAY DIFFRACTION20.96
3.3-3.430.3321840.29181564X-RAY DIFFRACTION36.28
3.43-3.580.301940.24961890X-RAY DIFFRACTION44.14
3.58-3.770.27811280.23532264X-RAY DIFFRACTION52.64
3.77-4.010.28291410.21882594X-RAY DIFFRACTION60.3
4.01-4.320.23341740.1822938X-RAY DIFFRACTION68.38
4.32-4.750.17821550.16513343X-RAY DIFFRACTION76.33
4.75-5.440.2071960.17073683X-RAY DIFFRACTION84.88
5.44-6.850.24542260.2174155X-RAY DIFFRACTION94.77
6.85-47.560.22822380.19484524X-RAY DIFFRACTION99.77
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)
13.4070706048-1.968694930131.647632723632.809874521351.742099903274.338862335680.1941159395870.4400358122170.8592651629340.2776629527540.436679591491-0.9834693217460.5420949742780.748778555685-0.1208713916060.443160617776-0.1161487389870.04423213786380.5718395801940.3167887699470.080993317155219.8538.36613.575
26.450987039082.85157241337-0.1832851719295.52422385087-1.198975891482.529706340740.277608186447-0.07518492525080.2114114119240.256350312843-0.337723610106-0.6742235936620.589082368480.4449175843210.06978644065950.9199007220480.08326553352020.078524880580.654333014460.1541878079320.3367479576422.99226.76910.118
30.386163878526-0.826189633792-0.2148246461121.56185436150.2025850969274.677575727230.4050998703360.3837141572590.315659704357-0.573080029121-0.213659531144-0.715748871088-1.27492302404-0.373124297134-0.3088401988640.47049880017-0.1362465637410.1096105836340.7269741373760.2112899653880.54663607438124.35550.2813.97
44.50287805122-5.216901281870.4829724158822.00310945185-2.146763444010.66913511675-0.1408553815780.3943351132341.07431096014-1.290278335130.487842304246-0.6837426217151.065729506730.3683862332240.03896035995590.8731655952220.042581191303-0.1115602168490.490450710219-0.2197429095450.45606298124920.2319.53236.161
50.1711551093590.642040931775-0.212281146653.54346163323-1.663320244111.57937863408-0.07471223543580.0323593606581-0.148441537040.156940206881-0.429401694165-0.862544269621-0.07361839778550.6126425572580.4096788875340.3027126796070.06343200821860.0159057760110.50287022780.03746861640280.66268674935524.63832.21928.253
64.409790751781.606485007721.763727054696.87649590494-2.116042402114.650653594040.245471158034-0.162662622487-0.3944267631090.0989141215643-0.0286959119418-0.8297140580870.4507897605630.750575028486-0.07706720489210.3224069032750.0886426948326-0.06282813676630.494319326870.1159950453590.62307743474127.85624.5935.253
72.75697561233-2.298920493170.7921404437549.28407825361-2.877763083264.81985084131-0.707980123672-0.0512223329608-0.00012033196470.4967751589350.843253692863-1.738094945050.427652254153-0.795558289082-0.4617727732520.595262472840.0795103405598-0.1021926368270.6764370719180.03395447345550.66064270611823.27932.05240.168
81.585127752981.72784437912-0.1882627367425.850543851081.321373648661.913966650010.09127157886390.3390906003830.367725799421-0.372264481499-0.06689484809010.0142620082721-0.2646722535740.7462049131120.02373719971750.387692271349-0.06789654017760.0340983524440.6595575687080.138777499910.45932188476822.68245.36210.553
93.513905948340.07727401115-0.5389083055980.5867699548710.8284318070134.29770588006-0.6256902570480.5279421281040.859167824101-1.219239586210.4282927012160.572482861539-0.4436965981070.2873450209140.2109797839640.771555614349-0.0857601944895-0.1513482650240.6247961291420.2509170736570.5160703219518.546.5866.619
103.627297281340.6893265793510.7217934731254.5600941618-3.139265751942.74635417552-0.177383742001-0.16959347711-1.44750905547-0.203662468584-0.4226693668670.1124747330130.771449352663-0.609217149204-0.1232581942010.820823165648-0.0973427518524-0.1055359810550.4494874916640.0936091476540.2838737278278.07519.55723.462
112.50721528492-1.445905800723.460603125272.45648991211-2.763308296135.383720365370.288243804913-1.20001352311-0.3724344362920.2857095320850.6375849071590.1538784698850.962320386883-1.32638341613-0.5800040304610.653953507814-0.219681169153-0.0007217245584590.9246579980750.2397366505910.8905699060781.30916.56235.138
122.414503891390.455951917151-0.4009197626721.142496194190.9589582775983.81372162716-0.314844761412-0.340102511785-0.04717461130940.6524619540860.4136561999380.23482780194-0.328757162578-0.0521634600945-0.09348771465670.711919891730.210717672291-0.1208879186090.6229008494650.01006317585790.4241479811958.25948.3350.297
134.187090142961.013177600650.6697522788151.454390200581.993809836313.12731495458-0.0466194860749-0.428361658532-0.4129319457540.6855581163620.08967095590580.1773358567060.8932882463160.05340259275-0.09804792158350.7996532250650.1630305995230.11380535520.5606052131110.05026044243240.64146115902-23.38155.81949.302
146.27359151925-2.41714836636-0.2096404587547.38869465883-0.7706415308732.850195684780.04281117033610.452279149490.732209042652-0.3998376432140.0149971209125-0.592009567602-0.269765428298-0.0990921639553-0.1000358953430.3560478471810.0227184772134-0.003570974948570.3960414928340.04457877591640.3229808619537.72658.60529.747
158.75337226858-0.3855771854511.33866673943.37617620443-0.692746730229-0.0830052423075-0.3183067908220.275192438991-0.08220414598240.3305250531330.321294929582-0.24288282592-0.0958661929558-0.196014636452-0.03290189574650.4577663533060.0454615883228-0.115748969940.586915406158-0.02096204221090.630421906034-0.02260.85532.86
163.04338124306-1.39591654223-0.08516755034153.959945217590.7683591612914.03288154267-0.092039582250.1122379283680.1192641845710.001226006205630.0715002686862-0.0594055310011-0.01421073470060.03964180004630.05065838261670.3842442569580.04756110493310.05538364817350.3584317695280.06631194209530.458005021179-26.22570.75644.986
177.893872556322.563173265460.2149589895067.058627681190.3241248197842.6328052628-0.159536945968-0.148412346365-0.5477112580150.448022795580.121086797665-0.3574282677560.5112874669840.521684518927-0.07229413544740.5408465833310.112283454101-0.01210686376110.488443934234-0.2030108546890.436485508384-38.865-0.2248.174
182.33203734682-2.912045899062.033527710466.36872312014-0.3330852776555.1599481710.3866425969050.100585300513-0.988511401154-0.1134702892940.9252158493650.856635219443-0.217922094299-0.256527858256-1.351200327770.3915281962110.113327516288-0.01732632671160.5288577224460.2254700164221.02709593939-55.186.33951.2
199.01967119033-4.14645046924-4.048675819082.387982571750.8130915002393.408446991230.288358152935-1.468188093251.334922043690.055672550530.37101882085-0.446085858413-0.3447392163790.538248565607-0.616192886440.431017805419-0.107558787064-0.0393705336290.428328010292-0.1645455521170.656707903676-39.7130.98128.13
205.09655234864-2.84614347506-1.570926668071.692403817631.084278113652.61606594860.04429544557540.292888838607-0.02554573428340.05342287880560.0454956252825-0.1282981236480.307435562794-0.1732767982590.05706418412790.378086911537-0.0178161495727-0.02917252553540.339880741118-0.05619370222860.707235939206-40.351-6.40928.84
215.11538556219-2.02349875776-1.588305547562.780801764460.9138539275813.374392051340.137795952815-0.1951786127020.0486570783016-0.7436551708470.09119033957050.370735142726-0.1629284222150.207645326921-0.2349213962550.4362706456070.02333322620450.002397088758590.250848927987-0.04291274694240.341678346068-38.043-2.94929.568
220.43885471835-0.9810470613150.9762956075995.6582623718-0.4654667976535.56093863606-0.03001158046930.666139500993-0.582855792388-0.940919412451-0.275351690307-0.186954699410.2028496701380.2744244011410.09822858588090.5538991660240.0430982350594-0.03334441449650.524327892436-0.006864082469340.468740606004-39.579-1.17919.815
238.47931504198-3.075633100271.099491995712.40806125391-2.307401865642.73160914544-0.073448732662-0.71999983971-0.2437433653090.4999774202090.4020391054050.1542693329830.1583821567540.114052482785-0.2281608129480.590646650761-0.05358858483580.1235590018950.271737439033-0.006380924578870.43724088564-50.6986.3849.337
243.35358752913-1.05924135618-1.168199052986.211166396562.042769998534.66832745943-0.302893702469-0.8642888940780.8510459471160.2231738445940.07118691321670.441215169009-0.289589144344-0.2472998059950.04455248213940.635932408660.134288649548-0.01594003428760.449348204523-0.1163817264370.598786629387-43.78718.63753.541
254.85244684109-1.041582558-2.734834876992.247183271582.14757930017.722759640860.0291033020459-0.3445725782590.222339646658-0.368927207970.413298816151-0.862031542486-0.4216471412231.51782362063-0.5042010031160.499605490988-0.0670653395307-0.04406974471920.796386749521-0.2444663818660.631622670894-19.0745.75135.555
261.64902420668-2.31056133289-0.07583869763624.525363026362.20483234033.252736361480.5438766886450.5313266466570.745142829908-1.059784596830.451712108827-0.37663070659-0.8244279436851.69694707825-1.005166877910.649337722707-0.2416967941680.02989807833251.16306867609-0.1906637336350.722339061595-15.3817.96525.936
272.542093136710.906302305157-0.3599928091764.08700549936-1.326826582194.34285374114-0.04713741315950.619327263240.0665421765871-0.8735426533330.1476302748050.0744115286305-0.381953107880.178635921142-0.03734259870590.748053087708-0.0113229440461-0.01504246311260.565945191906-0.1195429780030.42845428085-45.09620.7089.622
282.71389256305-0.03826196497261.539776723581.12940220714-0.8679439735612.10352588877-0.154269222855-0.3604729260881.260031474370.3234059569760.764867112882-0.2842605985380.174412327019-0.1366694969380.8983634914991.38099279283-0.1243549969180.04261333866461.029718005560.501805119812-0.126017402695-37.83752.1139.316
292.15387940981.05666307892.683010290014.123013727041.342254333682.59776270262-0.1527848693020.5540181970370.0256073873505-0.5440686416940.32291744354-0.4094306396130.1868861135050.220160559767-0.1441661966690.763573609136-0.07344357378840.1750572983310.6823393506430.09488357868950.481309941807-33.36950.80312.138
303.59757102783-2.217147459510.2285980962614.89542634605-0.6279817299743.08661204835-0.16406826867-0.173134216989-0.6865193869890.2104366494180.3112916445930.446089304538-0.480637218794-0.0241614880504-0.198255087460.495610026671-0.042589756370.1899738200910.4484935836310.0806074976750.605745192328-53.69826.12130.152
314.160192575491.801286917280.5162467430368.349735714262.28665370564.988929459880.332722319146-0.01041556015850.264122363214-0.664383620325-0.420218475960.0980924271061-0.568035163482-0.549615537603-0.2942812237020.345092476970.05871487305420.05152760337450.357929635907-0.01065071495930.487135675578-52.22127.42925.379
322.270012282574.126442790150.05849455741958.003850608920.339816199657-0.0119676795012-0.112967926577-0.9512897975390.8300231281170.535432148791-0.04842099610611.4698467931-0.2807423966730.2200699155860.02755937894510.807910484752-0.01200372759440.335850988860.2784047124520.2072638284720.958189205166-49.42447.02932.216
333.74392892345-0.0535291522750.4804569650656.779595932850.7039878433454.7728300502-0.1173016858241.014699848970.430176043225-0.487562452716-0.1156202738410.800536387551-0.9742647669110.02912053754970.3899462114220.768752747503-0.04456857159710.02055298181890.6659019417130.1142508288660.713096257896-44.78858.63217.444
341.75236513286-0.977775551875-2.485962356881.161701285220.9010413833793.41740270641-0.3990563925450.9885404141641.67658385109-1.31229327589-0.6239115885731.21552681734-0.45544999724-0.657578456139-0.7769095688121.19628685057-0.158360822975-0.5469498116280.7040835926310.5582985184681.25838704314-44.6564.6896.815
353.65150331665-0.5192626607760.380242531262.949653697820.8569825598823.630472002060.08324196799711.107944507480.864203213782-0.45406826440.4723065491880.492919683439-1.19521930126-0.4780042756650.1983576857831.079497981240.0580153004317-0.09358268795510.5722756973740.1063456021921.2935092631-46.30368.76819.652
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 4:26 )A4 - 26
2X-RAY DIFFRACTION2( CHAIN A AND RESID 27:55 )A27 - 55
3X-RAY DIFFRACTION3( CHAIN A AND RESID 56:87 )A56 - 87
4X-RAY DIFFRACTION4( CHAIN A AND RESID 88:101 )A88 - 101
5X-RAY DIFFRACTION5( CHAIN A AND RESID 102:146 )A102 - 146
6X-RAY DIFFRACTION6( CHAIN A AND RESID 147:166 )A147 - 166
7X-RAY DIFFRACTION7( CHAIN A AND RESID 167:187 )A167 - 187
8X-RAY DIFFRACTION8( CHAIN B AND RESID 2:37 )B2 - 37
9X-RAY DIFFRACTION9( CHAIN B AND RESID 38:106 )B38 - 106
10X-RAY DIFFRACTION10( CHAIN B AND RESID 107:155 )B107 - 155
11X-RAY DIFFRACTION11( CHAIN B AND ( RESID 156:217 OR RESID 301:301 ) )B156 - 217
12X-RAY DIFFRACTION11( CHAIN B AND ( RESID 156:217 OR RESID 301:301 ) )B301
13X-RAY DIFFRACTION12( CHAIN C AND RESID 1:106 )C1 - 106
14X-RAY DIFFRACTION13( CHAIN C AND RESID 107:216 )C107 - 216
15X-RAY DIFFRACTION14( CHAIN D AND RESID 1:75 )D1 - 75
16X-RAY DIFFRACTION15( CHAIN D AND RESID 76:114 )D76 - 114
17X-RAY DIFFRACTION16( CHAIN D AND RESID 115:211 )D115 - 211
18X-RAY DIFFRACTION17( CHAIN E AND RESID 4:55 )E4 - 55
19X-RAY DIFFRACTION18( CHAIN E AND RESID 56:77 )E56 - 77
20X-RAY DIFFRACTION19( CHAIN E AND RESID 78:101 )E78 - 101
21X-RAY DIFFRACTION20( CHAIN E AND RESID 102:134 )E102 - 134
22X-RAY DIFFRACTION21( CHAIN E AND RESID 135:166 )E135 - 166
23X-RAY DIFFRACTION22( CHAIN E AND RESID 167:187 )E167 - 187
24X-RAY DIFFRACTION23( CHAIN F AND RESID 2:37 )F2 - 37
25X-RAY DIFFRACTION24( CHAIN F AND RESID 38:106 )F38 - 106
26X-RAY DIFFRACTION25( CHAIN F AND RESID 107:162 )F107 - 162
27X-RAY DIFFRACTION26( CHAIN F AND ( RESID 163:217 OR RESID 301:301 ) )F163 - 217
28X-RAY DIFFRACTION26( CHAIN F AND ( RESID 163:217 OR RESID 301:301 ) )F301
29X-RAY DIFFRACTION27( CHAIN G AND RESID 1:106 )G1 - 106
30X-RAY DIFFRACTION28( CHAIN G AND RESID 107:135 )G107 - 135
31X-RAY DIFFRACTION29( CHAIN G AND RESID 136:214 )G136 - 214
32X-RAY DIFFRACTION30( CHAIN H AND RESID 1:75 )H1 - 75
33X-RAY DIFFRACTION31( CHAIN H AND RESID 76:101 )H76 - 101
34X-RAY DIFFRACTION32( CHAIN H AND RESID 102:113 )H102 - 113
35X-RAY DIFFRACTION33( CHAIN H AND RESID 114:174 )H114 - 174
36X-RAY DIFFRACTION34( CHAIN H AND RESID 175:187 )H175 - 187
37X-RAY DIFFRACTION35( CHAIN H AND RESID 188:211 )H188 - 211

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