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- PDB-7tho: Integrin alaphIIBbeta3 complex with Eptifibatide -

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Basic information

Entry
Database: PDB / ID: 7tho
TitleIntegrin alaphIIBbeta3 complex with Eptifibatide
Components
  • Eptifibatide
  • Fab heavy chainFragment antigen-binding
  • Fab light chainFragment antigen-binding
  • Integrin alpha-IIb
  • Integrin beta-3Integrin beta 3
KeywordsBLOOD CLOTTING/INHIBITOR / Complex / Inhibitor / BLOOD CLOTTING / BLOOD CLOTTING-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 / regulation of postsynaptic neurotransmitter receptor diffusion trapping / alphav-beta3 integrin-vitronectin complex / maintenance of postsynaptic specialization structure / regulation of extracellular matrix organization / platelet alpha granule membrane ...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 / regulation of postsynaptic neurotransmitter receptor diffusion trapping / alphav-beta3 integrin-vitronectin complex / maintenance of postsynaptic specialization structure / regulation of extracellular matrix organization / platelet alpha granule membrane / positive regulation of glomerular mesangial cell proliferation / integrin alphav-beta3 complex / negative regulation of lipoprotein metabolic process / alphav-beta3 integrin-PKCalpha complex / fibrinogen binding / glycinergic synapse / alphav-beta3 integrin-HMGB1 complex / vascular endothelial growth factor receptor 2 binding / blood coagulation, fibrin clot formation / negative regulation of lipid transport / negative regulation of low-density lipoprotein receptor activity / Elastic fibre formation / regulation of release of sequestered calcium ion into cytosol / cell-substrate junction assembly / mesodermal cell differentiation / angiogenesis involved in wound healing / alphav-beta3 integrin-IGF-1-IGF1R complex / platelet-derived growth factor receptor binding / filopodium membrane / extracellular matrix binding / positive regulation of fibroblast migration / positive regulation of vascular endothelial growth factor receptor signaling pathway / regulation of postsynaptic neurotransmitter receptor internalization / apolipoprotein A-I-mediated signaling pathway / regulation of bone resorption / wound healing, spreading of epidermal cells / apoptotic cell clearance / heterotypic cell-cell adhesion / positive regulation of cell adhesion mediated by integrin / integrin complex / Molecules associated with elastic fibres / cellular response to insulin-like growth factor stimulus / positive regulation of leukocyte migration / cell adhesion mediated by integrin / positive regulation of cell-matrix adhesion / smooth muscle cell migration / microvillus membrane / Syndecan interactions / negative chemotaxis / p130Cas linkage to MAPK signaling for integrins / cellular response to platelet-derived growth factor stimulus / cell-substrate adhesion / protein disulfide isomerase activity / positive regulation of smooth muscle cell migration / activation of protein kinase activity / positive regulation of osteoblast proliferation / TGF-beta receptor signaling activates SMADs / PECAM1 interactions / lamellipodium membrane / GRB2:SOS provides linkage to MAPK signaling for Integrins / negative regulation of macrophage derived foam cell differentiation / negative regulation of lipid storage / platelet-derived growth factor receptor signaling pathway / fibronectin binding / ECM proteoglycans / positive regulation of bone resorption / positive regulation of T cell migration / Integrin cell surface interactions / coreceptor activity / negative regulation of endothelial cell apoptotic process / positive regulation of substrate adhesion-dependent cell spreading / embryo implantation / positive regulation of endothelial cell proliferation / cell adhesion molecule binding / Integrin signaling / substrate adhesion-dependent cell spreading / cell-matrix adhesion / positive regulation of endothelial cell migration / protein kinase C binding / response to activity / Signal transduction by L1 / integrin-mediated signaling pathway / regulation of actin cytoskeleton organization / positive regulation of smooth muscle cell proliferation / Signaling by high-kinase activity BRAF mutants / RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function / MAP2K and MAPK activation / wound healing / cell-cell adhesion / platelet aggregation / platelet activation / ruffle membrane / VEGFA-VEGFR2 Pathway / cellular response to mechanical stimulus / positive regulation of angiogenesis / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / regulation of protein localization
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 alpha Ig-like domain 3 / Integrin beta tail domain / Integrin beta subunit, tail / Integrin beta tail domain superfamily ...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 alpha Ig-like domain 3 / Integrin beta tail domain / Integrin beta subunit, tail / Integrin beta tail domain superfamily / Integrin_B_tail / Integrin beta subunit, VWA domain / Integrin beta subunit / Integrin beta N-terminal / Integrin beta chain VWA domain / Integrin plexin domain / Integrins beta chain cysteine-rich domain signature. / Integrin beta subunits (N-terminal portion of extracellular region) / Integrin alpha cytoplasmic region / EGF-like domain, extracellular / EGF-like domain / Integrin alpha-2 / Integrin alpha Ig-like domain 1 / : / Integrin alpha Ig-like domain 2 / Integrin alpha chain / Integrin alpha beta-propellor / Integrin alpha chain, C-terminal cytoplasmic region, conserved site / 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 2. / EGF-like domain signature 1.
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: 2.75 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
DepositionJan 11, 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 1.3Nov 15, 2023Group: Data collection / Derived calculations / Category: chem_comp_atom / chem_comp_bond / struct_conn
Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2 / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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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: Eptifibatide
N: Eptifibatide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)300,92534
Polymers297,38410
Non-polymers3,54024
Water7,278404
1
A: Integrin alpha-IIb
B: Integrin beta-3
H: Fab heavy chain
L: Fab light chain
M: Eptifibatide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)150,54317
Polymers148,6925
Non-polymers1,85112
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: Eptifibatide
hetero molecules


Theoretical massNumber of molelcules
Total (without water)150,38117
Polymers148,6925
Non-polymers1,68912
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)260.340, 145.040, 104.870
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: 49228.625 Da / Num. of mol.: 2
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 / 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 Eptifibatide


Type: Cyclic peptide / Class: Inhibitor / Mass: 832.972 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) / References: BIRD: PRD_002490

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Antibody , 2 types, 4 molecules EHFL

#3: Antibody Fab heavy chain / Fragment antigen-binding


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 / Fragment antigen-binding


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 , 4 types, 6 molecules

#6: Polysaccharide beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4) ...beta-D-mannopyranose-(1-3)-beta-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.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_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)][b-D-Manp]{[(3+1)][b-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
#8: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}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 / N-Acetylglucosamine


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 , 4 types, 422 molecules

#9: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: Ca
#10: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: SO4
#11: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#13: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 404 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 3.33 Å3/Da / Density % sol: 63.06 %
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: 2.75→50 Å / Num. obs: 103704 / % possible obs: 99.9 % / Redundancy: 5.3 % / Biso Wilson estimate: 68.33 Å2 / Rmerge(I) obs: 0.114 / Net I/σ(I): 10.4
Reflection shellResolution: 2.75→2.82 Å / Rmerge(I) obs: 1.634 / Num. unique obs: 7566

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3NIG

3nig


Resolution: 2.75→48.44 Å / SU ML: 0.3799 / Cross valid method: FREE R-VALUE / σ(F): 2.09 / Phase error: 25.1352
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2224 1263 1.22 %
Rwork0.1889 102363 -
obs0.1893 103626 99.84 %
Solvent computationShrinkage radii: 1 Å / VDW probe radii: 1.3 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 99.21 Å2
Refinement stepCycle: LAST / Resolution: 2.75→48.44 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20715 0 321 404 21440
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002621593
X-RAY DIFFRACTIONf_angle_d0.548229397
X-RAY DIFFRACTIONf_chiral_restr0.04483275
X-RAY DIFFRACTIONf_plane_restr0.00413821
X-RAY DIFFRACTIONf_dihedral_angle_d10.99557838
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.75-2.860.37631450.340811217X-RAY DIFFRACTION99.99
2.86-2.990.35721450.29711277X-RAY DIFFRACTION99.94
2.99-3.150.29861440.258811247X-RAY DIFFRACTION99.81
3.15-3.340.29531480.249111236X-RAY DIFFRACTION99.85
3.35-3.60.26961390.213311321X-RAY DIFFRACTION99.64
3.6-3.970.23491410.192411323X-RAY DIFFRACTION99.85
3.97-4.540.15791360.152111412X-RAY DIFFRACTION99.86
4.54-5.720.17541330.139611477X-RAY DIFFRACTION99.93
5.72-48.440.19051320.167511853X-RAY DIFFRACTION99.67
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)
11.333754663460.136743725987-0.3289181540361.005863613730.3991399023991.339315324890.103879810539-0.1169958605120.04120197552680.228595162381-0.1618846280370.1593584389060.125359198717-0.1376584647480.06252003930650.684312510826-0.01027870733330.06756345024480.3368995105510.0346477311640.50970503911951.30690.15954.511
22.789997673390.744277780058-0.9015343445581.03459362393-0.3656964807342.10261148666-0.4167146302120.353588174813-0.251063377438-0.4394980927620.15531839935-0.2153715214920.5674693253060.300428707320.2436468642640.8230793720160.003726887807890.1314389494650.6156000781840.01024106522840.53180613624384.26386.207117.957
34.41539996818-4.119855547-1.492797916354.10556455991.203511045613.71809306659-0.6114715709490.0547397684863-0.5041526390280.2442029656590.264445556961-1.494761151020.7107503804372.024419009620.3477949471.01000446280.388738899320.09897298579261.89157736398-0.02431602241211.45951792895123.49487.01534.559
43.96128432471-0.850827263767-2.3182927463.643778664283.14343093119.46453758562-0.0207355030821-0.3267021339770.2152660244570.03153383409080.41508227088-0.3392781406060.1488754545571.54965781477-0.3811585245160.5930507933820.0344589784552-0.1276502250910.971401597415-0.1404717360850.890710344351101.78106.84152.447
51.908101529620.6476648307170.5830891160723.103455018830.5317298350291.454325222890.118786384084-0.2279826711450.2567052731040.318113361503-0.0453500422907-0.0727496168923-0.2640732455150.0612698095983-0.07389753182610.672553106258-0.04106714878650.07683407021260.358261922417-0.005257154900370.53533690994968.505118.18763.593
64.47270340890.838836199684-0.5517225199682.5168477353-2.815490421676.64565586782-0.167200452767-0.9329367799060.41734302997-0.2108088490280.157671522159-0.5306257189630.9670471942151.17869443972-0.03728507935511.089155843770.4390349075180.02808385527141.83683442874-0.05397463617561.18755699305115.77188.12318.68
78.493407284292.08247731498-2.061874294625.73879234625-0.1783053422594.71911304277-0.6792633921110.5512613189-0.571109720199-0.4220941527620.1884360791631.325970165051.38779776048-1.332295973080.4380671433231.23225481119-0.4880487586460.03497133231011.1893499213-0.02637691842641.1093098747114.9570.84141.707
82.18333632852-0.3578596275160.001785186851210.27951193021-1.01812534559.43084171075-0.5222837527891.114006908680.418208187514-0.2571405102330.3804287623520.04830138782710.70738617136-0.9818051677680.1026257918691.0036636772-0.448444133702-0.1542863239661.413820333050.199831960580.85855405415531.19187.916116.575
91.51224991081-0.3640451905040.2948768616230.834370858701-0.3416398443111.23143006732-0.3039436831680.9624951156120.591122938215-0.4109879558560.3724519325850.2181595274370.0327877975007-0.640383111931-0.05948240894711.0027639699-0.353001866409-0.1476098567851.387185828910.3361795247820.73344326451460.507102.729100.083
108.65535829792.762150983293.031804007888.16432718433.585681133016.11876206013-0.367320616258-0.612287284525-0.6027408073380.321715016310.06185482791370.5586316298291.09816479284-1.199410102190.1778148043550.912499812733-0.2199230842630.2112367732631.00243005184-0.04194306833531.0761412974121.79579.244155.602
113.261776047320.0456598800878-1.120506744451.26591519496-1.065230104543.297790790130.0289706044861-0.5651868452410.06877018801760.660226429003-0.01818477344770.3060108077210.0872864160552-0.326314343275-0.03232044438930.743981856699-0.1090032049940.2472150368740.849635889723-0.1172083771930.80686156502718.19597.02683.395
124.812810234780.8193801259040.439495334291.06300798940.379612740775.23133189777-0.00723030992224-0.338195466386-1.818858497630.3546517545720.1338794359160.1763143489710.9683349386330.302182218871-0.1296924945810.8028655296410.118443346490.1647594128260.8400077367250.1386278501441.79637278057-14.35381.98593.159
135.309052757581.0784460033-0.5971028204080.422972129933-0.4637684402331.371377038040.08163276323390.1578232052980.2714318013480.0638049162881-0.3770940433080.707359494709-0.0893601891672-0.8438679186030.253177778140.688892915735-0.007945305283530.1780510080970.976896743278-0.2371652942840.9148461217796.98496.55864.863
144.02945046196-0.0920872999436-0.1791570674672.627895302761.424166497716.76571300766-0.2353378924040.211097492214-1.003235658240.331682200320.03788069202730.4871554080040.144466926874-0.312304797940.1778232266520.6311701857190.006421045583510.2535368772090.9521831759710.1152811234451.26038007066-22.53694.13486.507
152.43361820257-1.01636500379-3.070600900311.06480496241.215414702734.308405754480.001315093992681.247376516770.210721803537-0.360343113475-0.0516018978825-0.06090747218890.6173839539690.2293215957260.09880555862641.13324984204-0.08458433132530.1884144386031.706060387330.08117308697090.780018575974114.80189.89985.962
161.570405779391.54150631301-0.9579324400454.243335983420.9984309391941.988227452720.2700893265531.32901192253-0.344701007451-0.754003064385-0.140724981677-0.719575275674-0.168198964361-0.166785700742-0.04516637047971.213335243290.3344713623680.1929795385442.143793206090.08378339293271.10950108777149.94281.73479.467
174.222705233840.144756242903-1.017119121512.19846535820.3423020758512.01526391635-0.2001052807180.2022941631540.7226402772610.00537644021410.0450948304886-0.6669521443590.159807368070.9944114032030.1003890213340.754922790072-0.1091951532270.1114704459191.510924735690.1538781817710.934296680113125.25399.83102.207
180.7420044395480.201300671984-0.8909331203021.714451849381.420299629382.702064919520.2006955160241.125239256160.17912496105-1.106216223730.112157310169-0.781789212722-0.2838286544881.048237126-0.3512395076431.308020015860.2239493361530.3950369759592.576703236450.3523961557381.45734669899154.31497.90480.097
197.427681958647.614402662034.168136541999.337091208715.123421407482.877740515351.01854838874-1.32077690731-0.299646181911.71426444778-0.0818007096113-0.7659218161070.1109090963910.701340900444-0.7770296821981.49914443027-0.207660533440.1526303630731.09133093018-0.1752098079210.84436513000555.397110.84275.716
205.89330771801-3.80919034902-0.422215494192.66095874515-1.076889183819.947422143261.101292943780.904554354989-0.774265298236-1.69134629745-0.2055486574841.033408046130.717346036678-1.22906859731-0.7748856571481.60593141594-0.348635704974-0.1983883765851.809352672070.1773840706310.70340618922475.5394.48190.688
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 1:57 )B1 - 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 D AND RESID 1:57 )D1 - 57
12X-RAY DIFFRACTION8( CHAIN D AND ( RESID 58:107 OR RESID 354:432 ) )D58 - 107
13X-RAY DIFFRACTION8( CHAIN D AND ( RESID 58:107 OR RESID 354:432 ) )D354 - 432
14X-RAY DIFFRACTION9( CHAIN D AND ( RESID 109:352 OR RESID 2001:2003 ) )D109 - 352
15X-RAY DIFFRACTION9( CHAIN D AND ( RESID 109:352 OR RESID 2001:2003 ) )D2001 - 2003
16X-RAY DIFFRACTION10( CHAIN D AND RESID 433:471 )D433 - 471
17X-RAY DIFFRACTION11( CHAIN H AND RESID 1:119 )H1 - 119
18X-RAY DIFFRACTION12( CHAIN H AND RESID 120:219 )H120 - 219
19X-RAY DIFFRACTION13( CHAIN L AND RESID 1:108 )L1 - 108
20X-RAY DIFFRACTION14( CHAIN L AND RESID 109:214 )L109 - 214
21X-RAY DIFFRACTION15( CHAIN E AND RESID 1:119 )E1 - 119
22X-RAY DIFFRACTION16( CHAIN E AND RESID 120:219 )E120 - 219
23X-RAY DIFFRACTION17( CHAIN F AND RESID 1:108 )F1 - 108
24X-RAY DIFFRACTION18( CHAIN F AND RESID 109:214 )F109 - 214
25X-RAY DIFFRACTION19( CHAIN M AND RESID 1:8 )M1 - 8
26X-RAY DIFFRACTION20( CHAIN N AND RESID 1:7 )N1 - 7

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