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- PDB-7u60: Integrin alpha IIB beta3 complex with cRGDfV -

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Basic information

Entry
Database: PDB / ID: 7u60
TitleIntegrin alpha IIB beta3 complex with cRGDfV
Components
  • ARG-GLY-ASP-DPN-VAL
  • Fab heavy chain
  • Fab light chain
  • Integrin alpha-IIb
  • Integrin beta-3
KeywordsCELL ADHESION/INHIBITOR / Complex / Inhibitor / BLOOD CLOTTING / CELL ADHESION / CELL ADHESION-INHIBITOR complex
Function / homology
Function and homology information


tube development / regulation of serotonin uptake / positive regulation of adenylate cyclase-inhibiting opioid receptor signaling pathway / alpha9-beta1 integrin-ADAM8 complex / regulation of trophoblast cell migration / integrin alphaIIb-beta3 complex / regulation of postsynaptic neurotransmitter receptor diffusion trapping / maintenance of postsynaptic specialization structure / alphav-beta3 integrin-vitronectin complex / regulation of extracellular matrix organization ...tube development / regulation of serotonin uptake / positive regulation of adenylate cyclase-inhibiting opioid receptor signaling pathway / alpha9-beta1 integrin-ADAM8 complex / regulation of trophoblast cell migration / integrin alphaIIb-beta3 complex / regulation of postsynaptic neurotransmitter receptor diffusion trapping / maintenance of postsynaptic specialization structure / alphav-beta3 integrin-vitronectin complex / regulation of extracellular matrix organization / positive regulation of glomerular mesangial cell proliferation / platelet alpha granule membrane / negative regulation of lipoprotein metabolic process / integrin alphav-beta3 complex / alphav-beta3 integrin-PKCalpha complex / fibrinogen binding / alphav-beta3 integrin-HMGB1 complex / blood coagulation, fibrin clot formation / glycinergic synapse / vascular endothelial growth factor receptor 2 binding / negative regulation of lipid transport / positive regulation of vascular endothelial growth factor signaling pathway / : / regulation of release of sequestered calcium ion into cytosol / Elastic fibre formation / mesodermal cell differentiation / cell-substrate junction assembly / alphav-beta3 integrin-IGF-1-IGF1R complex / platelet-derived growth factor receptor binding / angiogenesis involved in wound healing / filopodium membrane / extracellular matrix binding / positive regulation of fibroblast migration / positive regulation of vascular endothelial growth factor receptor signaling pathway / regulation of bone resorption / apolipoprotein A-I-mediated signaling pathway / positive regulation of cell adhesion mediated by integrin / positive regulation of leukocyte migration / apoptotic cell clearance / wound healing, spreading of epidermal cells / integrin complex / heterotypic cell-cell adhesion / smooth muscle cell migration / Molecules associated with elastic fibres / Mechanical load activates signaling by PIEZO1 and integrins in osteocytes / positive regulation of cell-matrix adhesion / negative chemotaxis / cell adhesion mediated by integrin / cellular response to insulin-like growth factor stimulus / Syndecan interactions / microvillus membrane / p130Cas linkage to MAPK signaling for integrins / positive regulation of smooth muscle cell migration / regulation of postsynaptic neurotransmitter receptor internalization / protein disulfide isomerase activity / cell-substrate adhesion / positive regulation of osteoblast proliferation / PECAM1 interactions / TGF-beta receptor signaling activates SMADs / GRB2:SOS provides linkage to MAPK signaling for Integrins / lamellipodium membrane / platelet-derived growth factor receptor signaling pathway / fibronectin binding / negative regulation of macrophage derived foam cell differentiation / negative regulation of lipid storage / ECM proteoglycans / Integrin cell surface interactions / positive regulation of bone resorption / positive regulation of T cell migration / negative regulation of endothelial cell apoptotic process / coreceptor activity / cell adhesion molecule binding / cellular response to platelet-derived growth factor stimulus / positive regulation of endothelial cell proliferation / positive regulation of substrate adhesion-dependent cell spreading / positive regulation of endothelial cell migration / Integrin signaling / embryo implantation / substrate adhesion-dependent cell spreading / protein kinase C binding / Turbulent (oscillatory, disturbed) flow shear stress activates signaling by PIEZO1 and integrins in endothelial cells / cell-matrix adhesion / Signal transduction by L1 / response to activity / integrin-mediated signaling pathway / regulation of actin cytoskeleton organization / positive regulation of smooth muscle cell proliferation / wound healing / RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function / Signaling by high-kinase activity BRAF mutants / MAP2K and MAPK activation / cell-cell adhesion / platelet activation / VEGFA-VEGFR2 Pathway / platelet aggregation / ruffle membrane / cellular response to mechanical stimulus / positive regulation of fibroblast proliferation / positive regulation of angiogenesis / Signaling by RAF1 mutants
Similarity search - Function
Integrin beta, epidermal growth factor-like domain 1 / Integrin beta epidermal growth factor like domain 1 / Integrin beta subunit, cytoplasmic domain / Integrin beta cytoplasmic domain / Integrin_b_cyt / Integrin beta tail domain / : / Integrin alpha Ig-like domain 3 / Integrin EGF domain / Integrin beta subunit, tail ...Integrin beta, epidermal growth factor-like domain 1 / Integrin beta epidermal growth factor like domain 1 / Integrin beta subunit, cytoplasmic domain / Integrin beta cytoplasmic domain / Integrin_b_cyt / Integrin beta tail domain / : / Integrin alpha Ig-like domain 3 / Integrin EGF domain / Integrin beta subunit, tail / Integrin beta tail domain superfamily / Integrin_B_tail / EGF-like domain, extracellular / EGF-like domain / Integrins beta chain EGF (I-EGF) domain profile. / Integrin alpha cytoplasmic region / Integrin beta subunit, VWA domain / Integrin beta subunit / Integrin beta N-terminal / Integrin beta chain VWA domain / Integrin plexin domain / Integrins beta chain EGF (I-EGF) domain signature. / Integrin beta subunits (N-terminal portion of extracellular region) / Integrin alpha-2 / Integrin alpha Ig-like domain 1 / von Willebrand factor, type A domain / Integrin alpha chain / Integrin alpha beta-propellor / Integrin alpha chain, C-terminal cytoplasmic region, conserved site / : / Integrin alpha Ig-like domain 2 / Integrins alpha chain signature. / FG-GAP repeat profile. / Integrin alpha (beta-propellor repeats). / FG-GAP repeat / FG-GAP repeat / Integrin domain superfamily / Integrin alpha, N-terminal / PSI domain / domain found in Plexins, Semaphorins and Integrins / von Willebrand factor A-like domain superfamily / EGF-like domain signature 1. / EGF-like domain signature 2. / Immunoglobulins / Immunoglobulin-like / Sandwich / Rossmann fold / 3-Layer(aba) Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
: / Integrin beta-3 / Integrin alpha-IIb
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
AuthorsZhu, J. / Lin, F.Y. / Zhu, J. / Springer, T.A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Heart, Lung, and Blood Institute (NIH/NHLBI)HL-103526 United States
CitationJournal: Cell / Year: 2022
Title: A general chemical principle for creating closure-stabilizing integrin inhibitors.
Authors: Lin, F.Y. / Li, J. / Xie, Y. / Zhu, J. / Huong Nguyen, T.T. / Zhang, Y. / Zhu, J. / Springer, T.A.
History
DepositionMar 3, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 17, 2022Provider: repository / Type: Initial release
Revision 1.1Mar 8, 2023Group: Database references / Category: citation / citation_author
Item: _citation.journal_abbrev / _citation.journal_id_CSD ..._citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.3Oct 2, 2024Group: Structure summary / Category: struct / Item: _struct.title
Revision 1.4Nov 13, 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: Integrin alpha-IIb
B: Integrin beta-3
C: Integrin alpha-IIb
D: Integrin beta-3
E: Fab heavy chain
F: Fab light chain
H: Fab heavy chain
L: Fab light chain
M: ARG-GLY-ASP-DPN-VAL
N: ARG-GLY-ASP-DPN-VAL
hetero molecules


Theoretical massNumber of molelcules
Total (without water)302,38449
Polymers297,16410
Non-polymers5,22039
Water20,7891154
1
A: Integrin alpha-IIb
B: Integrin beta-3
H: Fab heavy chain
L: Fab light chain
M: ARG-GLY-ASP-DPN-VAL
hetero molecules


Theoretical massNumber of molelcules
Total (without water)151,61529
Polymers148,5825
Non-polymers3,03324
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Integrin alpha-IIb
D: Integrin beta-3
E: Fab heavy chain
F: Fab light chain
N: ARG-GLY-ASP-DPN-VAL
hetero molecules


Theoretical massNumber of molelcules
Total (without water)150,77020
Polymers148,5825
Non-polymers2,18815
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)260.890, 145.770, 105.160
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein Integrin alpha-IIb / GPalpha IIb / GPIIb / Platelet membrane glycoprotein IIb


Mass: 49357.805 Da / Num. of mol.: 2 / Fragment: UNP residues 32-486
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ITGA2B, GP2B, ITGAB / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: P08514
#2: Protein Integrin beta-3 / Platelet membrane glycoprotein IIIa / GPIIIa


Mass: 51958.789 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ITGB3, GP3A / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: P05106

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Protein/peptide , 1 types, 2 molecules MN

#5: Protein/peptide ARG-GLY-ASP-DPN-VAL


Mass: 593.653 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Antibody , 2 types, 4 molecules EHFL

#3: Antibody Fab heavy chain


Mass: 23339.062 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#4: Antibody Fab light chain


Mass: 23332.686 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)

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Sugars , 3 types, 6 molecules

#6: Polysaccharide alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpa1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5]/1-1-2-2/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#7: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#12: 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.: 2 / 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

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Non-polymers , 5 types, 1187 molecules

#8: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Ca
#9: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C3H8O3
#10: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO4
#11: Chemical
ChemComp-MN / MANGANESE (II) ION


Mass: 54.938 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mn
#13: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1154 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
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: 3.37 Å3/Da / Density % sol: 63.47 %
Crystal growTemperature: 297 K / Method: vapor diffusion, hanging drop
Details: 11-13% PEG 8000, 0.2 M Ammonium Sulfate, 0.1 M Tris-HCl, pH 8.9

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 0.97948 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 3, 2011
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97948 Å / Relative weight: 1
ReflectionResolution: 2.55→50 Å / Num. obs: 129549 / % possible obs: 98.8 % / Redundancy: 5.9 % / Biso Wilson estimate: 37.79 Å2 / Rmerge(I) obs: 0.11 / Net I/σ(I): 11.4
Reflection shellResolution: 2.55→2.62 Å / Rmerge(I) obs: 0.9 / Num. unique obs: 18165 / % possible all: 98.5

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3NIG

3nig


Resolution: 2.55→48.6 Å / SU ML: 0.3305 / Cross valid method: FREE R-VALUE / σ(F): 2.01 / Phase error: 22.904
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2254 1023 0.79 %
Rwork0.1884 128501 -
obs0.1887 129524 98.77 %
Solvent computationShrinkage radii: 1.2 Å / VDW probe radii: 1.3 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 61.19 Å2
Refinement stepCycle: LAST / Resolution: 2.55→48.6 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20713 0 386 1154 22253
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002521666
X-RAY DIFFRACTIONf_angle_d0.593529484
X-RAY DIFFRACTIONf_chiral_restr0.04433284
X-RAY DIFFRACTIONf_plane_restr0.00423822
X-RAY DIFFRACTIONf_dihedral_angle_d11.82967867
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.55-2.680.28541420.251518165X-RAY DIFFRACTION98.67
2.68-2.850.30221430.236718162X-RAY DIFFRACTION98.72
2.85-3.070.24081590.221718183X-RAY DIFFRACTION98.81
3.07-3.380.26061320.201918196X-RAY DIFFRACTION98.44
3.38-3.870.21791610.185618251X-RAY DIFFRACTION98.52
3.87-4.880.20631290.159218470X-RAY DIFFRACTION98.79
4.88-48.60.18741570.16519074X-RAY DIFFRACTION99.43
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)
10.764072424513-0.0323760670491-0.2575111863441.184084588320.5921315797571.19035207053-0.00690870961268-0.0302241872634-0.022040193120.116948699085-0.04237339715440.1037221673140.133131258938-0.1366965656160.0120319169120.2798499686790.006477628867530.07204947992480.1050800045090.06217978070490.19417555941251.41590.9254.408
21.898757349820.159573421193-0.3665071867310.822521012481-0.340438869541.91981683515-0.107131342248-0.0374681703396-0.17997347069-0.139300224026-0.00865400335328-0.1911777639840.2930757623440.4786811003940.1021642882220.3360829853580.05950271295080.1114458266620.362187099201-0.003245563416250.26128682019185.00686.845118.402
34.39564284642-2.61731922856-1.378563492632.57772956551-0.2523123375621.55578911692-0.3249330696770.243460755559-0.7396425423830.06717080921310.173672344288-0.9576364957650.6305477958771.233458152190.461814338230.8134582437530.3564241321910.006419098776842.09580469907-0.3372389787321.36736268284124.15289.01135.104
44.98254338832-0.994068459089-2.567541949722.947065038442.631502749116.18004448631-0.013671014814-0.05217686710680.4156825807180.1315517740190.374873925986-0.2377241712310.3254818969681.0227279337-0.3437243542070.3856923244790.0933682719258-0.06780311904270.838188232501-0.1578414074540.784472821788101.877108.15852.958
51.652781472840.3957644763230.2042807867442.345678056670.375175060070.826129573630.0421822672107-0.206721275720.2406009835470.1096426959050.0347805594182-0.110508926784-0.1630333654370.0941464205623-0.1017750566920.3182193094810.009972257824970.08429539735210.1488715629310.002108639426050.24693630765668.05119.21463.833
68.43829733326-0.968658843656-2.013136995283.91035659615-0.2155482563545.258864944510.5137571672860.2314937946780.246467998968-0.754602459544-0.0570349591454-0.833336201588-0.2322197826440.248471963371-0.5111537958330.7938454517050.29688421160.1064772664281.85530526603-0.07172850763440.980147823622116.63689.23719.391
70.2058886538540.6382870244430.1172265445372.618823876570.6705509427650.2354622211940.186858743643-0.5027329399770.2681032382540.665547897492-0.05131926119080.319296968768-0.157935954049-0.0131170413836-0.04954794531630.646612365946-0.1392906870260.1511456963660.654991864906-0.210063045060.47981931083953.348112.57875.041
88.221328092883.40580484596-3.786630971535.06335133457-1.09633493513.55125123904-0.5419701875020.0669197094269-0.690784730676-0.278694708285-0.07347929836620.7998792704331.19050921538-1.056079364280.6174102257010.919642510601-0.4948427273330.1133725463211.177560785620.001316751391470.790716541715.42771.25141.687
92.894252926560.511843544246-2.385081371361.40522216886-1.78500399129.19217466553-0.2508627240210.373102637225-0.116279771034-0.07780418387770.123109847885-0.01755993386680.527477570462-0.9979405827350.1145345792050.456838275075-0.1982759125930.0127006687550.7437948196030.05524785185130.4243290727231.66887.959116.48
101.75811685357-0.4381815783070.6493049734110.923608905893-0.2986495101872.42041107286-0.03562511328260.2442828055730.258908430212-0.1310767891120.02331032925810.0224856896611-0.163433685456-0.15805382586-0.04427265750920.366626046396-0.0716394102630.04448955633820.3759595454790.06424414291490.22984142076461.123102.85799.908
113.332594311034.67412505944-1.103885342197.667286976640.3862268810389.016564820150.0771900515352-0.277065584639-0.144780351160.493121801735-0.05326947232270.00658475033970.689588168005-1.1592777363-0.08519698483540.627012534129-0.1356059036290.1492049884770.701073671712-0.07798604776170.69283101204622.00179.604155.519
120.002493973670.0002790148430110.003153950212720.00282390831679-0.002911210232590.02388622733120.2012099842190.384897927379-0.0335756263867-0.392514968083-0.0474636930384-0.06366812281460.06600664497810.00718604808473-0.09474371630351.16453826401-0.0536729269284-0.02781187214071.422975267770.2147822499110.79970218540477.42696.36691.013
133.365920342860.448485561816-1.551098367391.61805684787-0.859944660382.079758770460.0473858576924-0.661949331152-0.0820925495850.871133084715-0.1423456892060.2413060221380.262579375209-0.2436855533910.04031949584750.543785632958-0.06140342635220.1476243112450.63795092331-0.06284419957620.40718267089118.23797.47483.113
141.757158453620.824414244742-0.968663087820.459631873349-0.1058713100514.81083539427-0.31987317094-0.185164805307-1.791568972670.3273014933950.03729108104760.2754905333921.134441848490.4091988665260.2733160707280.7153071495790.1264197343620.2360346934930.727120195450.1511014070931.70798805728-13.9282.07293.663
153.222544320831.0392729245-0.7004764585950.5029928395770.01119736204640.506453543959-0.04951085234590.2705819529370.0394778472483-0.107589557552-0.4321130948730.8616457476920.0686299425214-0.6601458823530.343239840820.350825808949-0.03500383378540.09719638921770.78927641219-0.2039035999270.6844677849886.8396.62564.705
162.27887216980.2408541860440.6532897366492.060003126340.6347073708613.94405428946-0.3942339462920.417195579524-0.9619478091650.252781678762-0.1204400959570.4892938680080.118272081082-0.6562799078430.4566537856610.3383740676590.0114140450010.2084996458640.750076058274-0.03120585145341.0005759641-22.28994.186.85
172.17329497998-0.533449048073-1.347058457430.2169437108750.5957400513252.230478982330.01788588840890.530103302623-0.176559025083-0.834334890347-0.196278254602-0.2843189633140.9778544446650.1094776297990.357401469421.06589537724-0.006074503434060.3776910181751.031782621010.05505013924670.632631426611116.02190.4286.606
185.484728683611.166324301250.4586571984493.368913427431.726896798732.686368908630.147891005940.775054461107-0.569279175801-0.2340555926860.0236493802153-1.249953579150.7394219005251.1542082242-0.2126450127931.261700335840.5301650179980.2762552507991.495380537280.1289971012711.21501555353152.2883.34180.178
192.95887418277-0.267484724044-0.5806806319010.723850774370.1777993506640.40144999977-0.0819222322293-0.4590368914360.602649478422-0.0145552762881-0.223062182581-0.7800327893790.1770971733620.6675707100470.2542225080980.475169324367-0.02892714400940.1937630623871.200049485220.07401562426530.855065957558126.234100.572102.786
203.574678992191.13750557784-1.185800300973.361502947810.9099766605744.0589089734-0.06200273536960.3760757181480.130641633486-0.993837565019-0.0281340623348-0.71261702533-0.1045602325091.2642431120.01153585724661.012728983920.2836904482110.4097266659841.804207062170.4385482197761.37597678527155.39999.18280.848
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND ( RESID 1:454 OR RESID 501:504 ) )A1 - 454
2X-RAY DIFFRACTION1( CHAIN A AND ( RESID 1:454 OR RESID 501:504 ) )A501 - 504
3X-RAY DIFFRACTION2( CHAIN C AND ( RESID 1:453 OR RESID 501:504 ) )C1 - 453
4X-RAY DIFFRACTION2( CHAIN C AND ( RESID 1:453 OR RESID 501:504 ) )C501 - 504
5X-RAY DIFFRACTION3( CHAIN B AND RESID 3:57 )B3 - 57
6X-RAY DIFFRACTION4( CHAIN B AND ( RESID 58:107 OR RESID 354:432 ) )B58 - 107
7X-RAY DIFFRACTION4( CHAIN B AND ( RESID 58:107 OR RESID 354:432 ) )B354 - 432
8X-RAY DIFFRACTION5( CHAIN B AND ( RESID 109:352 OR RESID 2001:2003 ) )B109 - 352
9X-RAY DIFFRACTION5( CHAIN B AND ( RESID 109:352 OR RESID 2001:2003 ) )B2001 - 2003
10X-RAY DIFFRACTION6( CHAIN B AND RESID 433:466 )B433 - 466
11X-RAY DIFFRACTION7( CHAIN M AND RESID 1:5 )M1 - 5
12X-RAY DIFFRACTION8( CHAIN D AND RESID 3:57 )D3 - 57
13X-RAY DIFFRACTION9( CHAIN D AND ( RESID 58:107 OR RESID 354:432 ) )D58 - 107
14X-RAY DIFFRACTION9( CHAIN D AND ( RESID 58:107 OR RESID 354:432 ) )D354 - 432
15X-RAY DIFFRACTION10( CHAIN D AND ( RESID 109:352 OR RESID 2001:2003 ) )D109 - 352
16X-RAY DIFFRACTION10( CHAIN D AND ( RESID 109:352 OR RESID 2001:2003 ) )D2001 - 2003
17X-RAY DIFFRACTION11( CHAIN D AND RESID 433:471 )D433 - 471
18X-RAY DIFFRACTION12( CHAIN N AND RESID 1:5 )N1 - 5
19X-RAY DIFFRACTION13( CHAIN H AND RESID 1:119 )H1 - 119
20X-RAY DIFFRACTION14( CHAIN H AND RESID 120:219 )H120 - 219
21X-RAY DIFFRACTION15( CHAIN L AND RESID 1:108 )L1 - 108
22X-RAY DIFFRACTION16( CHAIN L AND RESID 109:214 )L109 - 214
23X-RAY DIFFRACTION17( CHAIN E AND RESID 1:119 )E1 - 119
24X-RAY DIFFRACTION18( CHAIN E AND RESID 120:219 )E120 - 219
25X-RAY DIFFRACTION19( CHAIN F AND RESID 1:108 )F1 - 108
26X-RAY DIFFRACTION20( CHAIN F AND RESID 109:214 )F109 - 214

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