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- PDB-6kc4: Crystal structure of human Fer SH2 domain bound to a phosphopepti... -

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Basic information

Entry
Database: PDB / ID: 6kc4
TitleCrystal structure of human Fer SH2 domain bound to a phosphopeptide (DEpYENVD)
Components
  • Tyrosine-protein kinase Fer
  • phosphopeptide (EDpYENVD)
KeywordsTRANSFERASE/SIGNALING PROTEIN / SH2 domain / SIGNALING PROTEIN / TRANSFERASE-SIGNALING PROTEIN complex
Function / homology
Function and homology information


adherens junction disassembly / response to platelet-derived growth factor / diapedesis / extracellular matrix-cell signaling / negative regulation of mast cell activation involved in immune response / regulation of fibroblast migration / regulation of epidermal growth factor receptor signaling pathway / Kit signaling pathway / cellular response to macrophage colony-stimulating factor stimulus / regulation of mast cell degranulation ...adherens junction disassembly / response to platelet-derived growth factor / diapedesis / extracellular matrix-cell signaling / negative regulation of mast cell activation involved in immune response / regulation of fibroblast migration / regulation of epidermal growth factor receptor signaling pathway / Kit signaling pathway / cellular response to macrophage colony-stimulating factor stimulus / regulation of mast cell degranulation / Sertoli cell development / cell-cell adhesion mediated by cadherin / protein phosphatase 1 binding / tyrosine phosphorylation of STAT protein / adherens junction assembly / regulation of lamellipodium assembly / epidermal growth factor receptor binding / positive regulation of actin filament polymerization / interleukin-6-mediated signaling pathway / seminiferous tubule development / germ cell development / Fc-epsilon receptor signaling pathway / platelet-derived growth factor receptor signaling pathway / substrate adhesion-dependent cell spreading / cell projection / adherens junction / regulation of protein phosphorylation / non-specific protein-tyrosine kinase / non-membrane spanning protein tyrosine kinase activity / Signaling by SCF-KIT / cytoplasmic side of plasma membrane / cytokine-mediated signaling pathway / cellular response to reactive oxygen species / microtubule cytoskeleton organization / peptidyl-tyrosine phosphorylation / chemotaxis / insulin receptor signaling pathway / positive regulation of NF-kappaB transcription factor activity / cell cortex / actin cytoskeleton organization / protein tyrosine kinase activity / response to lipopolysaccharide / protein autophosphorylation / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / cytoskeleton / cell adhesion / intracellular signal transduction / positive regulation of cell migration / protein phosphorylation / lipid binding / chromatin / positive regulation of cell population proliferation / ATP binding / nucleus / cytosol / cytoplasm
Similarity search - Function
Tyrosine-protein kinase Fer, F-BAR domain / Tyrosine-protein kinase, Fes/Fps type / Fes/Fps/Fer, SH2 domain / Fes/CIP4, and EFC/F-BAR homology domain / Fes/CIP4 homology domain / FCH domain / F-BAR domain / F-BAR domain profile. / AH/BAR domain superfamily / SH2 domain ...Tyrosine-protein kinase Fer, F-BAR domain / Tyrosine-protein kinase, Fes/Fps type / Fes/Fps/Fer, SH2 domain / Fes/CIP4, and EFC/F-BAR homology domain / Fes/CIP4 homology domain / FCH domain / F-BAR domain / F-BAR domain profile. / AH/BAR domain superfamily / SH2 domain / SHC Adaptor Protein / SH2 domain / Src homology 2 (SH2) domain profile. / Src homology 2 domains / SH2 domain / SH2 domain superfamily / Tyrosine-protein kinase, catalytic domain / Tyrosine kinase, catalytic domain / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Protein tyrosine and serine/threonine kinase / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Tyrosine-protein kinase Fer
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.37 Å
AuthorsMatsuura, Y.
Funding support Japan, 1items
OrganizationGrant numberCountry
Japan Society for the Promotion of Science16K07268 Japan
CitationJournal: Protein Sci. / Year: 2019
Title: High-resolution structural analysis shows how different crystallographic environments can induce alternative modes of binding of a phosphotyrosine peptide to the SH2 domain of Fer tyrosine kinase.
Authors: Matsuura, Y.
History
DepositionJun 27, 2019Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Sep 4, 2019Provider: repository / Type: Initial release
Revision 1.1Sep 11, 2019Group: Data collection / Database references / Category: citation / Item: _citation.title
Revision 1.2Oct 30, 2019Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Nov 22, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Tyrosine-protein kinase Fer
B: phosphopeptide (EDpYENVD)
C: Tyrosine-protein kinase Fer
D: phosphopeptide (EDpYENVD)
E: Tyrosine-protein kinase Fer
F: phosphopeptide (EDpYENVD)
G: Tyrosine-protein kinase Fer
H: phosphopeptide (EDpYENVD)
I: Tyrosine-protein kinase Fer
J: phosphopeptide (EDpYENVD)
K: Tyrosine-protein kinase Fer
L: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)76,23712
Polymers76,23712
Non-polymers00
Water19,3661075
1
A: Tyrosine-protein kinase Fer
B: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area890 Å2
ΔGint-5 kcal/mol
Surface area6020 Å2
MethodPISA
2
C: Tyrosine-protein kinase Fer
D: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1000 Å2
ΔGint-6 kcal/mol
Surface area6010 Å2
MethodPISA
3
E: Tyrosine-protein kinase Fer
F: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area860 Å2
ΔGint-5 kcal/mol
Surface area5980 Å2
MethodPISA
4
G: Tyrosine-protein kinase Fer
H: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area940 Å2
ΔGint-3 kcal/mol
Surface area6000 Å2
MethodPISA
5
I: Tyrosine-protein kinase Fer
J: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area890 Å2
ΔGint-4 kcal/mol
Surface area6040 Å2
MethodPISA
6
K: Tyrosine-protein kinase Fer
L: phosphopeptide (EDpYENVD)


Theoretical massNumber of molelcules
Total (without water)12,7062
Polymers12,7062
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area850 Å2
ΔGint-5 kcal/mol
Surface area6070 Å2
MethodPISA
Unit cell
Length a, b, c (Å)34.700, 186.661, 50.580
Angle α, β, γ (deg.)90.000, 96.960, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Tyrosine-protein kinase Fer / Feline encephalitis virus-related kinase FER / Fujinami poultry sarcoma/Feline sarcoma-related ...Feline encephalitis virus-related kinase FER / Fujinami poultry sarcoma/Feline sarcoma-related protein Fer / Proto-oncogene c-Fer / Tyrosine kinase 3 / p94-Fer


Mass: 11743.345 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: FER, TYK3 / Production host: Escherichia coli (E. coli)
References: UniProt: P16591, non-specific protein-tyrosine kinase
#2: Protein/peptide
phosphopeptide (EDpYENVD)


Mass: 962.805 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 1075 / Source method: isolated from a natural source / Formula: H2O
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: 2.15 Å3/Da / Density % sol: 42.77 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.8 / Details: HEPES, sodium chloride, PEG 3350

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Data collection

DiffractionMean temperature: 95 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-17A / Wavelength: 0.98 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 23, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98 Å / Relative weight: 1
ReflectionResolution: 1.37→25.87 Å / Num. obs: 130076 / % possible obs: 97.7 % / Redundancy: 3.1 % / CC1/2: 0.997 / Rmerge(I) obs: 0.044 / Rpim(I) all: 0.028 / Rrim(I) all: 0.052 / Net I/σ(I): 14.8 / Num. measured all: 409258 / Scaling rejects: 515
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
1.37-1.392.80.1161628359190.9810.0820.1436.589.8
7.5-25.873.40.04127368130.9860.0270.04926.797

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
Aimless0.7.1data scaling
MOLREPphasing
PHENIX1.14_3260refinement
PDB_EXTRACT3.25data extraction
MOSFLMdata reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2KK6

2kk6


Resolution: 1.37→25.867 Å / SU ML: 0.11 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 18.95
RfactorNum. reflection% reflection
Rfree0.1855 6701 5.15 %
Rwork0.1646 --
obs0.1657 129994 97.64 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 68.74 Å2 / Biso mean: 20.8914 Å2 / Biso min: 5.76 Å2
Refinement stepCycle: final / Resolution: 1.37→25.867 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5290 0 0 1075 6365
Biso mean---30.33 -
Num. residues----641
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.37-1.38560.21011940.19373757395189
1.3856-1.40190.21231960.19283910410693
1.4019-1.4190.20412060.19183966417295
1.419-1.43690.21662070.19424057426495
1.4369-1.45580.20682360.19043984422096
1.4558-1.47580.21252120.18994060427296
1.4758-1.49690.21962170.18544086430397
1.4969-1.51920.20292230.18244094431797
1.5192-1.54290.20682250.18464059428497
1.5429-1.56820.2061790.17454187436698
1.5682-1.59530.20232340.17434029426397
1.5953-1.62430.19832540.1684059431398
1.6243-1.65550.21212420.17034145438798
1.6555-1.68930.18952590.17063982424196
1.6893-1.7260.20512260.17924121434798
1.726-1.76610.18012210.16354134435599
1.7661-1.81030.19512330.17144203443699
1.8103-1.85920.19012150.17564137435299
1.8592-1.91390.21892300.17734186441699
1.9139-1.97570.18582360.16624158439499
1.9757-2.04630.18012340.16534190442499
2.0463-2.12820.17072170.15824174439199
2.1282-2.2250.19241950.161542164411100
2.225-2.34220.17442350.16694127436298
2.3422-2.48880.18572100.16994223443399
2.4888-2.68080.17062240.17442254449100
2.6808-2.95030.18952270.176241904417100
2.9503-3.37640.18952490.161842084457100
3.3764-4.25080.15192340.136442204454100
4.2508-25.87170.18552310.14674206443799
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)
12.6292.3044-1.42897.7165-1.97953.5429-0.02030.02220.5420.20450.11390.791-0.2985-0.2411-0.05480.07320.0250.03940.15980.04310.2468-9.80287.822623.8081
21.5226-0.36720.44020.2685-0.26810.1723-0.0881-0.0410.02130.01620.0645-0.0633-0.02550.00250.02420.06320.01040.01440.13410.00120.10431.86381.711827.991
33.47781.00250.55854.2611.60192.23930.1938-0.1529-0.11750.4485-0.0006-0.30010.55990.0599-0.1220.14510.0028-0.0230.12140.00620.12940.2799-9.604826.3843
44.46263.61050.66763.4680.00910.5275-0.0143-0.10160.03330.0512-0.0332-0.0292-0.01710.05130.06670.05480.00270.01260.1097-0.00120.06745.0324.917423.5149
51.10080.48780.19636.5115-1.2481.15670.01180.0748-0.1711-0.2768-0.0982-0.35780.18390.20210.05830.08130.0190.03880.1041-0.0070.11954.2891-4.757320.0372
63.324-3.13882.07656.5914-1.73581.31010.05390.21720.1059-0.2623-0.2467-0.19940.06550.14860.14490.08850.00040.03570.13130.00570.09565.69042.230515.9983
79.0196-2.3692.86315.88531.82993.17940.06710.54530.5476-0.69240.00570.0497-0.3799-0.0888-0.14130.2088-0.03640.00010.18260.06620.13761.808614.16489.1171
80.6232-0.76170.43013.64551.41622.23540.0810.27110.0255-0.2631-0.0743-0.12930.04630.24950.00030.1409-0.0083-0.00460.18060.01260.0962-0.79246.30928.7465
90.65640.80110.23553.17070.55190.4169-0.01060.17130.0246-0.26010.06210.29680.086-0.1327-0.04840.1174-0.0148-0.01730.16030.01590.1068-7.74221.394813.1238
101.65050.2167-0.19851.833-0.4591.99110.03070.038-0.0637-0.31120.1439-0.04270.07140.1196-0.17290.1166-0.01590.01530.1216-0.0240.1034-1.9599-5.584415.5582
112.79840.41141.33263.33312.30343.8531-0.0437-0.1824-0.26930.4558-0.07620.46150.2146-0.59160.09760.2024-0.02270.07820.1925-0.00450.1823.3553.097242.2512
120.81341.0814-0.10652.1803-0.47440.2438-0.2069-0.10130.1672-0.29870.1190.2240.00240.08120.06250.20670.01570.00520.1339-0.02130.1596.855616.243638.9556
134.12730.60872.56311.7318-1.34237.4115-0.1056-0.38220.60560.50550.11290.1325-0.38990.0514-0.10150.36360.0275-0.00820.1542-0.03330.17547.735520.681545.2969
141.22160.18210.17761.7779-1.06093.2375-0.1381-0.18190.14240.38130.04160.0643-0.376-0.37510.0670.19020.04330.00620.1136-0.03020.107210.775114.295544.5747
150.5517-0.01110.10641.70490.10323.158-0.0259-0.05020.10750.2755-0.0231-0.1055-0.02510.1207-0.01610.164-0.0014-0.03430.1214-0.0130.095115.251913.765140.1751
161.246-0.4178-0.42463.66383.20574.879-0.0281-0.09530.23420.22490.0241-0.2712-0.38470.18250.02380.2119-0.0308-0.03230.1363-0.00730.123618.236115.119142.5808
176.85690.00720.14625.2904-0.15613.5783-0.07590.1751-0.4976-0.07340.0463-0.13670.3377-0.07740.05110.0944-0.00590.0260.1203-0.01210.140118.7984-1.198930.6565
181.2045-0.050.92791.43740.04732.1582-0.01450.048-0.03930.15540.0127-0.0457-0.01130.0293-0.02060.0942-0.00460.00910.09030.00480.083916.74430.608843.1198
194.76451.1681-0.71744.018-0.26613.7814-0.13010.17040.08250.33680.0103-0.3906-0.18460.26680.06890.1898-0.0356-0.06990.15130.02640.118223.47548.288648.1591
200.36620.6421.06831.16941.95483.2122-0.4305-0.60690.16210.4348-0.14250.2385-0.3447-0.81810.31020.25520.04980.04750.2374-0.07830.1516.611410.489550.2757
213.0121-0.81540.59893.4378-0.4766.04760.1298-0.41690.02910.69010.03320.5026-0.3098-0.0131-0.15730.2004-0.02480.08970.2075-0.03070.211-4.04523.760136.6201
220.67410.1967-0.1540.57910.02972.12750.00350.01380.18760.01550.02570.20220.06620.0151-0.04080.11520.00160.0030.12510.01490.1536-3.659117.95121.8409
237.1422-0.6281-0.83992.4534-3.37765.3898-0.10250.6325-0.3051-0.5646-0.18830.30660.6005-0.09670.12120.04740.2381-0.1636-0.12930.20680.5202-10.315822.444718.1415
241.9382-2.49961.17163.5396-2.42543.44780.1459-0.22780.2505-0.0469-0.00870.5707-0.0335-0.1987-0.06620.08120.0152-0.00110.08940.01770.355-8.75229.430423.1709
255.7971-2.5725-3.16724.49192.84242.3537-0.078-0.01410.00680.2460.04220.02140.16250.15870.0110.0946-0.00170.00980.14160.00330.11933.390918.639323.5608
261.8127-1.30080.73232.0732-0.67181.04050.04340.05770.3073-0.15340.00530.11050.0105-0.0115-0.04660.11180.01080.00030.12090.03470.21250.585726.572421.6894
275.4262-0.52323.90761.7388-0.03025.7411-0.06620.34690.4561-0.0946-0.00110.0105-0.34470.2110.03340.1473-0.00370.02550.11750.04640.19354.601829.18922.9088
282.15110.11070.67522.7764-0.26652.77330.0798-0.06360.3150.1676-0.0557-0.0342-0.23380.07940.00020.1854-0.02930.05520.1014-0.02590.21595.825332.908333.2539
291.3648-1.30840.35151.71971.03144.4039-0.49790.01090.7787-0.1154-0.19440.5038-0.71050.25360.29650.1860.06670.0223-0.0213-0.0520.5735-1.944839.002728.1041
302.20551.4358-0.20942.4921-0.46761.63790.0368-0.01070.2107-0.2067-0.13250.1897-0.1177-0.00680.11270.16040.04920.0260.13230.04230.3593-6.778131.735824.606
316.2003-0.552-1.19094.8277-0.75275.27340.1248-0.6136-0.07260.8173-0.10470.28970.19440.02250.00880.2402-0.03810.05850.18860.01130.17869.457-30.235258.6626
320.79730.23240.25731.3404-0.53842.06350.02690.0362-0.02880.02030.01740.11870.107-0.1239-0.01330.08120.00260.01440.11160.01020.099110.2876-22.745246.8655
332.08781.3185-0.0735.48332.58243.6533-0.17430.32030.139-0.63860.10160.1105-0.3399-0.05470.08710.1650.0009-0.0180.14020.01170.117511.658-11.408845.299
340.7979-0.8588-0.65612.40831.872.07420.01680.0584-0.0338-0.0449-0.00820.03850.0584-0.02050.00550.07790.002-0.00230.10780.00190.075116.0567-23.9245.461
350.7881-0.7921-0.00757.2628-0.14711.28870.08140.09240.172-0.0898-0.065-0.3571-0.09670.1205-0.02310.069-0.00480.01980.11430.00440.130218.8618-16.393746.6983
360.9765-0.420.26673.8321-1.72782.61650.02690.02420.12060.0875-0.1675-0.5359-0.03540.22610.03730.06770.00340.0060.12560.00280.14123.1639-21.36947.6467
373.05820.7655-0.21873.60690.60316.1868-0.0143-0.1784-0.28250.5497-0.0846-0.16090.08990.43190.14330.21570.0654-0.06350.1720.00470.185726.3224-35.204255.0297
382.8781.47751.40613.9830.21842.4099-0.09560.03380.2847-0.00520.0361-0.13940.21080.56610.07130.14950.0291-0.05790.1935-0.01850.146226.1599-26.814756.7446
390.19780.17670.03022.91260.99990.8917-0.0631-0.17960.05610.69680.0942-0.35370.08630.0481-0.00250.19360.0236-0.06120.15850.00620.138719.0887-22.119460.8433
404.3722-0.5464-0.14512.5935-0.17762.19-0.05320.2789-0.42150.31610.2459-0.4587-0.2060.1862-0.15050.0627-0.0276-0.03590.1341-0.07490.197820.1822-14.887954.2488
412.7712.37070.96543.1822.13614.3038-0.0362-0.65850.62930.0667-0.30080.5126-0.2428-0.46910.18250.13540.04080.00040.2248-0.1110.2806-0.5675-23.279536.3313
420.3445-0.7213-0.10771.72710.4540.2897-0.0410.0306-0.00410.27390.0824-0.02940.1543-0.0076-0.02950.19880.0004-0.02940.1385-0.02060.1782.8554-37.51735.2115
432.23150.6725-0.08912.8822-1.41273.82450.24120.1403-0.4481-0.18240.15880.36350.8543-0.2959-0.27810.2239-0.0603-0.07910.1758-0.00150.2395-4.6288-37.793826.5664
447.8635-3.6911.95842.9555-0.971.0998-0.0345-0.0932-0.05470.06630.0521-0.00980.02710.04590.01140.1316-0.00110.00430.10610.0020.09278.7451-35.03633.348
453.43130.94192.5432.0481.00853.59970.10060.1978-0.2046-0.1446-0.03240.11610.23510.0061-0.03540.15950.0153-0.0450.1246-0.03310.12724.125-36.039625.8035
463.22640.4169-0.91524.4075-0.94131.28410.11110.2877-0.224-0.4138-0.08340.01070.1339-0.1812-0.03770.17110.0267-0.03340.1509-0.03590.07877.56-34.55924.3529
475.53741.10440.77914.82830.39925.466-0.00310.31880.0698-0.30620.099-0.5379-0.24970.3783-0.09160.1371-0.00830.02610.16-0.01830.14315.7967-22.032227.6278
480.8152-0.10520.65411.18210.14451.87760.00220.06980.0583-0.1811-0.01470.0956-0.11580.02610.0080.15040.0195-0.01130.1094-0.00440.10184.3246-21.407923.8497
495.5835-0.5398-2.59853.10981.50074.96720.13130.336-0.0565-0.4786-0.13410.05060.1271-0.0367-0.01090.20920.0566-0.03370.1597-0.00720.09084.0347-29.427516.1266
502.49940.1594-2.20992.974-1.98633.15950.1107-0.33120.35460.3117-0.16660.35950.0306-0.39160.02310.172-0.03190.00220.2118-0.04250.2439-6.5294-30.553729.3067
512.7851-1.4441.18022.9095-1.05274.10750.01220.1723-0.3143-0.0590.08990.58880.0742-0.5304-0.07880.1364-0.0130.00540.2312-0.02110.2582-0.4873-44.061845.9414
521.9968-0.09060.86840.19060.04590.5786-0.14440.09350.13540.158-0.01320.0227-0.02550.08930.09430.17380.0082-0.02690.12080.00550.145212.3863-38.493153.1351
532.0992-0.99980.05787.0228-0.34332.6892-0.0653-0.21380.11950.9047-0.04460.07550.03230.14210.10160.31550.01160.04040.1390.02270.156110.9995-46.712661.008
541.6151.2997-1.09421.9411-1.08982.2292-0.0607-0.0059-0.00620.09950.01570.00980.04290.03780.05640.14040.0156-0.00220.09780.00930.131312.7606-43.892147.5078
550.37410.2756-0.38560.9627-1.25263.3315-0.025-0.1171-0.1350.1704-0.05-0.00730.17720.29710.0260.24360.0342-0.01250.14280.04560.183116.284-50.742254.765
565.192-0.0205-1.27847.08590.94195.32480.12950.4356-0.6951-0.56450.0347-0.01280.14160.1297-0.16860.2098-0.0158-0.01510.1522-0.04240.189311.1559-50.635433.9561
573.1477-0.06631.58686.38322.31965.19180.04860.2022-0.84250.20760.3812-0.19410.48510.5166-0.19860.22490.0282-0.03440.1556-0.03350.32612.9352-57.220440.4153
580.8882-1.0630.65453.33570.72312.92580.0763-0.0589-0.17360.2417-0.17530.20920.3358-0.35910.12320.152-0.04760.00740.1309-0.02620.21163.3566-52.582340.6557
593.45981.1871.56041.9733-0.85543.17970.07240.2569-0.33220.1688-0.0391-0.00561.0948-0.1948-0.01650.398-0.04740.07930.10060.01240.24037.4764-59.640848.5169
603.4967-1.7035-0.55962.94921.16122.19320.1650.1050.14530.1489-0.197-0.34970.1798-0.1276-0.00950.28080.00650.04820.140.03480.20788.2282-52.142854.5272
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 453:459)A453 - 459
2X-RAY DIFFRACTION2(chain A and resid 460:470)A460 - 470
3X-RAY DIFFRACTION3(chain A and resid 471:479)A471 - 479
4X-RAY DIFFRACTION4(chain A and resid 480:490)A480 - 490
5X-RAY DIFFRACTION5(chain A and resid 491:503)A491 - 503
6X-RAY DIFFRACTION6(chain A and resid 504:508)A504 - 508
7X-RAY DIFFRACTION7(chain A and resid 509:513)A509 - 513
8X-RAY DIFFRACTION8(chain A and resid 514:522)A514 - 522
9X-RAY DIFFRACTION9(chain A and resid 523:535)A523 - 535
10X-RAY DIFFRACTION10(chain A and resid 536:552)A536 - 552
11X-RAY DIFFRACTION11(chain C and resid 453:460)C453 - 460
12X-RAY DIFFRACTION12(chain C and resid 461:468)C461 - 468
13X-RAY DIFFRACTION13(chain C and resid 469:474)C469 - 474
14X-RAY DIFFRACTION14(chain C and resid 475:486)C475 - 486
15X-RAY DIFFRACTION15(chain C and resid 487:499)C487 - 499
16X-RAY DIFFRACTION16(chain C and resid 500:508)C500 - 508
17X-RAY DIFFRACTION17(chain C and resid 509:513)C509 - 513
18X-RAY DIFFRACTION18(chain C and resid 514:535)C514 - 535
19X-RAY DIFFRACTION19(chain C and resid 536:546)C536 - 546
20X-RAY DIFFRACTION20(chain C and resid 547:552)C547 - 552
21X-RAY DIFFRACTION21(chain E and resid 452:461)E452 - 461
22X-RAY DIFFRACTION22(chain E and resid 462:470)E462 - 470
23X-RAY DIFFRACTION23(chain E and resid 471:475)E471 - 475
24X-RAY DIFFRACTION24(chain E and resid 476:482)E476 - 482
25X-RAY DIFFRACTION25(chain E and resid 483:487)E483 - 487
26X-RAY DIFFRACTION26(chain E and resid 488:500)E488 - 500
27X-RAY DIFFRACTION27(chain E and resid 501:511)E501 - 511
28X-RAY DIFFRACTION28(chain E and resid 512:529)E512 - 529
29X-RAY DIFFRACTION29(chain E and resid 530:540)E530 - 540
30X-RAY DIFFRACTION30(chain E and resid 541:552)E541 - 552
31X-RAY DIFFRACTION31(chain G and resid 452:457)G452 - 457
32X-RAY DIFFRACTION32(chain G and resid 458:469)G458 - 469
33X-RAY DIFFRACTION33(chain G and resid 470:477)G470 - 477
34X-RAY DIFFRACTION34(chain G and resid 478:490)G478 - 490
35X-RAY DIFFRACTION35(chain G and resid 491:502)G491 - 502
36X-RAY DIFFRACTION36(chain G and resid 503:508)G503 - 508
37X-RAY DIFFRACTION37(chain G and resid 509:513)G509 - 513
38X-RAY DIFFRACTION38(chain G and resid 514:521)G514 - 521
39X-RAY DIFFRACTION39(chain G and resid 522:536)G522 - 536
40X-RAY DIFFRACTION40(chain G and resid 537:552)G537 - 552
41X-RAY DIFFRACTION41(chain I and resid 453:460)I453 - 460
42X-RAY DIFFRACTION42(chain I and resid 461:470)I461 - 470
43X-RAY DIFFRACTION43(chain I and resid 471:480)I471 - 480
44X-RAY DIFFRACTION44(chain I and resid 481:488)I481 - 488
45X-RAY DIFFRACTION45(chain I and resid 489:502)I489 - 502
46X-RAY DIFFRACTION46(chain I and resid 503:507)I503 - 507
47X-RAY DIFFRACTION47(chain I and resid 508:515)I508 - 515
48X-RAY DIFFRACTION48(chain I and resid 516:535)I516 - 535
49X-RAY DIFFRACTION49(chain I and resid 536:546)I536 - 546
50X-RAY DIFFRACTION50(chain I and resid 547:552)I547 - 552
51X-RAY DIFFRACTION51(chain K and resid 452:461)K452 - 461
52X-RAY DIFFRACTION52(chain K and resid 462:470)K462 - 470
53X-RAY DIFFRACTION53(chain K and resid 471:478)K471 - 478
54X-RAY DIFFRACTION54(chain K and resid 479:496)K479 - 496
55X-RAY DIFFRACTION55(chain K and resid 497:507)K497 - 507
56X-RAY DIFFRACTION56(chain K and resid 508:514)K508 - 514
57X-RAY DIFFRACTION57(chain K and resid 515:519)K515 - 519
58X-RAY DIFFRACTION58(chain K and resid 520:529)K520 - 529
59X-RAY DIFFRACTION59(chain K and resid 530:540)K530 - 540
60X-RAY DIFFRACTION60(chain K and resid 541:552)K541 - 552

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