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- PDB-7tvj: Crystal Structure of Monobody Mb(SHP2PTP_13)/SHP2 PTP Domain Complex -

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Basic information

Entry
Database: PDB / ID: 7tvj
TitleCrystal Structure of Monobody Mb(SHP2PTP_13)/SHP2 PTP Domain Complex
Components
  • Mb(SHP2PTP_13)
  • Tyrosine-protein phosphatase non-receptor type 11
KeywordsSIGNALING PROTEIN/IMMUNE SYSTEM / Monobody / SHP2 / Phosphatase / Complex / Inhibitor / Signaling / SIGNALING PROTEIN-IMMUNE SYSTEM complex
Function / homology
Function and homology information


negative regulation of cortisol secretion / intestinal epithelial cell migration / microvillus organization / negative regulation of growth hormone secretion / genitalia development / atrioventricular canal development / negative regulation of cell adhesion mediated by integrin / STAT5 Activation / Co-inhibition by BTLA / Netrin mediated repulsion signals ...negative regulation of cortisol secretion / intestinal epithelial cell migration / microvillus organization / negative regulation of growth hormone secretion / genitalia development / atrioventricular canal development / negative regulation of cell adhesion mediated by integrin / STAT5 Activation / Co-inhibition by BTLA / Netrin mediated repulsion signals / cerebellar cortex formation / positive regulation of hormone secretion / negative regulation of neutrophil activation / regulation of protein export from nucleus / positive regulation of lipopolysaccharide-mediated signaling pathway / positive regulation of ossification / Interleukin-37 signaling / Signaling by Leptin / hormone metabolic process / MET activates PTPN11 / Regulation of RUNX1 Expression and Activity / negative regulation of chondrocyte differentiation / Signal regulatory protein family interactions / face morphogenesis / ERBB signaling pathway / platelet formation / triglyceride metabolic process / megakaryocyte development / organ growth / negative regulation of type I interferon production / Interleukin-20 family signaling / PI-3K cascade:FGFR3 / Interleukin-6 signaling / Co-inhibition by CTLA4 / Platelet sensitization by LDL / STAT5 activation downstream of FLT3 ITD mutants / peptide hormone receptor binding / PI-3K cascade:FGFR2 / PI-3K cascade:FGFR4 / MAPK3 (ERK1) activation / PI-3K cascade:FGFR1 / Prolactin receptor signaling / neurotrophin TRK receptor signaling pathway / regulation of cell adhesion mediated by integrin / regulation of type I interferon-mediated signaling pathway / platelet-derived growth factor receptor signaling pathway / MAPK1 (ERK2) activation / PECAM1 interactions / inner ear development / Bergmann glial cell differentiation / peptidyl-tyrosine dephosphorylation / positive regulation of intracellular signal transduction / phosphoprotein phosphatase activity / RET signaling / Regulation of IFNA/IFNB signaling / Interleukin-3, Interleukin-5 and GM-CSF signaling / PI3K Cascade / Co-inhibition by PD-1 / non-membrane spanning protein tyrosine phosphatase activity / fibroblast growth factor receptor signaling pathway / GAB1 signalosome / positive regulation of insulin receptor signaling pathway / ephrin receptor signaling pathway / regulation of protein-containing complex assembly / Activated NTRK2 signals through FRS2 and FRS3 / Regulation of IFNG signaling / FRS-mediated FGFR3 signaling / Signaling by CSF3 (G-CSF) / GPVI-mediated activation cascade / Signaling by FLT3 ITD and TKD mutants / T cell costimulation / negative regulation of T cell proliferation / FRS-mediated FGFR2 signaling / hormone-mediated signaling pathway / cell adhesion molecule binding / FRS-mediated FGFR4 signaling / FRS-mediated FGFR1 signaling / Tie2 Signaling / phosphotyrosine residue binding / FLT3 Signaling / protein-tyrosine-phosphatase / homeostasis of number of cells within a tissue / axonogenesis / Downstream signal transduction / positive regulation of mitotic cell cycle / protein tyrosine phosphatase activity / positive regulation of interferon-beta production / protein tyrosine kinase binding / cellular response to epidermal growth factor stimulus / DNA damage checkpoint signaling / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / integrin-mediated signaling pathway / positive regulation of D-glucose import / insulin receptor binding / Negative regulation of FGFR3 signaling / Negative regulation of FGFR2 signaling / Negative regulation of FGFR4 signaling / Negative regulation of FGFR1 signaling / negative regulation of insulin secretion / Spry regulation of FGF signaling
Similarity search - Function
Protein-tyrosine phosphatase, non-receptor type-6, -11 / Protein tyrosine phosphatase superfamily / Protein-Tyrosine Phosphatase; Chain A / Protein tyrosine phosphatase, catalytic domain / PTP type protein phosphatase domain profile. / Protein-tyrosine phosphatase / Tyrosine-specific protein phosphatase, PTPase domain / Protein-tyrosine phosphatase, catalytic / Protein tyrosine phosphatase, catalytic domain motif / Tyrosine specific protein phosphatases active site. ...Protein-tyrosine phosphatase, non-receptor type-6, -11 / Protein tyrosine phosphatase superfamily / Protein-Tyrosine Phosphatase; Chain A / Protein tyrosine phosphatase, catalytic domain / PTP type protein phosphatase domain profile. / Protein-tyrosine phosphatase / Tyrosine-specific protein phosphatase, PTPase domain / Protein-tyrosine phosphatase, catalytic / Protein tyrosine phosphatase, catalytic domain motif / Tyrosine specific protein phosphatases active site. / Protein-tyrosine phosphatase, active site / Tyrosine-specific protein phosphatases domain / Tyrosine specific protein phosphatases domain profile. / Protein-tyrosine phosphatase-like / SH2 domain / Src homology 2 (SH2) domain profile. / Src homology 2 domains / SH2 domain / SH2 domain superfamily / Alpha-Beta Complex / Alpha Beta
Similarity search - Domain/homology
CITRATE ANION / Tyrosine-protein phosphatase non-receptor type 11
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.39 Å
AuthorsSha, F. / Koide, S.
Funding support United States, 7items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM072688 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01DA048764 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01-GM090324 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)T32GM008720-S United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)5P41RR015301-10 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)8 P41 GM103403-10 United States
Department of Energy (DOE, United States)DE-AC02-06CH11357 United States
CitationJournal: J.Mol.Biol. / Year: 2023
Title: Monobody Inhibitor Selective to the Phosphatase Domain of SHP2 and its Use as a Probe for Quantifying SHP2 Allosteric Regulation.
Authors: Sha, F. / Kurosawa, K. / Glasser, E. / Ketavarapu, G. / Albazzaz, S. / Koide, A. / Koide, S.
History
DepositionFeb 5, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 15, 2023Provider: repository / Type: Initial release
Revision 1.1Mar 8, 2023Group: Database references / Category: citation / citation_author
Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed
Revision 1.2Mar 15, 2023Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 1.3Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
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

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Assembly

Deposited unit
A: Tyrosine-protein phosphatase non-receptor type 11
B: Mb(SHP2PTP_13)
D: Tyrosine-protein phosphatase non-receptor type 11
E: Mb(SHP2PTP_13)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)91,1606
Polymers90,7824
Non-polymers3782
Water4,035224
1
A: Tyrosine-protein phosphatase non-receptor type 11
B: Mb(SHP2PTP_13)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,5803
Polymers45,3912
Non-polymers1891
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2070 Å2
ΔGint-4 kcal/mol
Surface area15920 Å2
MethodPISA
2
D: Tyrosine-protein phosphatase non-receptor type 11
E: Mb(SHP2PTP_13)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,5803
Polymers45,3912
Non-polymers1891
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1840 Å2
ΔGint-5 kcal/mol
Surface area16160 Å2
MethodPISA
Unit cell
Length a, b, c (Å)48.460, 48.490, 102.070
Angle α, β, γ (deg.)80.140, 77.530, 61.630
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

#1: Protein Tyrosine-protein phosphatase non-receptor type 11 / Protein-tyrosine phosphatase 1D / PTP-1D / Protein-tyrosine phosphatase 2C / PTP-2C / SH-PTP2 / SHP- ...Protein-tyrosine phosphatase 1D / PTP-1D / Protein-tyrosine phosphatase 2C / PTP-2C / SH-PTP2 / SHP-2 / Shp2 / SH-PTP3


Mass: 35292.988 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: PTP domain (UNP residues 224-525) / Source: (gene. exp.) Homo sapiens (human) / Gene: PTPN11, PTP2C, SHPTP2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q06124, protein-tyrosine-phosphatase
#2: Protein Mb(SHP2PTP_13)


Mass: 10098.066 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli)
#3: Chemical ChemComp-FLC / CITRATE ANION


Mass: 189.100 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C6H5O7
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 224 / Source method: isolated from a natural source / Formula: H2O
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: 2.26 Å3/Da / Density % sol: 45.64 %
Crystal growTemperature: 292 K / Method: vapor diffusion / pH: 5
Details: 0.1 M sodium citrate tribasic dihydrate, 2% Tascimate, 16% PEG3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.979 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 5, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.39→49.67 Å / Num. obs: 29422 / % possible obs: 93.3 % / Redundancy: 1.8 % / Biso Wilson estimate: 25.39 Å2 / CC1/2: 0.974 / Rmerge(I) obs: 0.084 / Rpim(I) all: 0.084 / Rrim(I) all: 0.118 / Net I/σ(I): 6.7
Reflection shellResolution: 2.39→2.48 Å / Redundancy: 1.7 % / Rmerge(I) obs: 0.245 / Mean I/σ(I) obs: 2.3 / Num. unique obs: 3038 / CC1/2: 0.531 / Rpim(I) all: 0.245 / Rrim(I) all: 0.347 / % possible all: 92.1

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
Cootmodel building
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entries 3ZM1 & 3K2M

3zm1

3k2m


Resolution: 2.39→49.67 Å / SU ML: 0.2961 / Cross valid method: FREE R-VALUE / σ(F): 2.02 / Phase error: 25.4513
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2588 1473 5.09 %
Rwork0.2291 27471 -
obs0.2306 28944 91.84 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 34.15 Å2
Refinement stepCycle: LAST / Resolution: 2.39→49.67 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5491 0 26 224 5741
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00215713
X-RAY DIFFRACTIONf_angle_d0.53487791
X-RAY DIFFRACTIONf_chiral_restr0.0452867
X-RAY DIFFRACTIONf_plane_restr0.0033999
X-RAY DIFFRACTIONf_dihedral_angle_d5.355801
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.39-2.470.30621120.26982049X-RAY DIFFRACTION75.4
2.47-2.560.30881190.26942632X-RAY DIFFRACTION94.83
2.56-2.660.26061530.25752496X-RAY DIFFRACTION93.8
2.66-2.780.27951460.26212570X-RAY DIFFRACTION94.14
2.78-2.930.321250.25962546X-RAY DIFFRACTION93.72
2.93-3.110.27271310.24662529X-RAY DIFFRACTION92.59
3.11-3.350.27391360.23552456X-RAY DIFFRACTION91.59
3.35-3.690.24591360.22212447X-RAY DIFFRACTION89.5
3.69-4.220.24541420.2012593X-RAY DIFFRACTION95.66
4.22-5.310.23131340.19242603X-RAY DIFFRACTION95.07
5.31-49.670.22891390.22452550X-RAY DIFFRACTION93.96
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)
12.395179386310.968549480961-0.4501504962442.977358003450.1523645515822.408061191340.16580022856-0.1942459458460.00409585682790.599085988817-0.04956458034860.620529229860.174732504357-0.0886106669543-0.0834080005610.237209454986-0.02933172390770.09094364243350.1622089461420.03680790547850.25988953965319.8084586091-1.0253535006229.5136945689
21.557100375330.498559496206-0.5508145549533.602828535790.489032106542.947284612590.0761070901460.0579187229731-0.144294515923-0.1575717443470.08791368357130.6390567029720.2583671549340.0412731583466-0.1551185888980.159063170164-0.0389512417603-0.05794653276820.1473321219410.054628727360.26986441992323.5196723922-8.16139594919.3862231753
33.201986285170.2102042028450.2505249624732.676030136130.09636430146853.206796250080.154129020901-0.2211410588717.15422665106E-5-0.5159691214050.0124357185242-0.5070484785630.4745422822270.0617673272688-0.1664189653120.3377862271670.0714352786987-0.001127500023360.151592375358-0.03039073253460.28190839111836.620426502-10.302647554313.2461069971
42.868214634741.393905663730.5177295786624.954543174323.974510028426.06941027916-0.2316734415920.1469881149730.202112353975-0.1008740785020.318653071161-0.314094424804-0.3609015508290.747118123029-0.1409102775750.192173647402-0.0239995745124-0.02239517884150.1619615404610.02201410546360.31086137364438.8213510146.6611912782513.1882197445
52.15914382606-0.0388493433666-1.080000846763.08554288741.178740337340.965766245570.0534510101666-0.1516571270630.096799894771-0.318709016608-0.1562689239080.0668467328019-0.214032717476-0.0278647601082-0.05126963218250.227768003975-0.00536488764389-0.002936862522620.108473044832-0.006633739730910.23155886977528.83754126095.2784826391312.9896472113
62.195379728160.759183514873-0.4174824353842.96578317516-2.10921475832.078244181580.0568497229563-0.1309320432960.3589472299890.1520544344860.0501232689612-0.124192851643-0.494181631371-0.0362583869558-0.1187013574250.348944063343-0.002801085815230.02224357539240.10640841796-0.05304346581840.26170887292528.800307101915.451663026918.3426016407
75.351921031871.34575237323-0.1863062607492.503595411811.023736080653.668489339240.549378712584-0.573354683857-0.0140701663609-0.00307966525119-0.159413969887-0.1395857779340.594642085438-0.131908046069-0.2974751568390.41614257767-0.05249701203720.0456056908360.4621667871660.03101586803840.12686115835724.66023725882.6521729632246.0269068715
81.410343839010.4604167110660.7864638528822.30119852160.2778087861410.43873369995-0.0341995632652-0.01820858643360.02301934341440.9380828084210.0703035331792-0.506298325004-0.1725228003060.473611798481-0.2149479450420.559079814541-0.147067555696-0.0949179123111.00223635371-0.111419444710.29133235996939.71562930999.9678181141155.0039766706
91.96244711239-0.968922808084-0.2408621756711.05247149216-0.5860003079690.895216554078-0.157880302726-0.2226517082820.5065986595660.177172440624-0.180248853286-0.0241173405167-0.110983531644-0.08993342492250.07659478401830.729809467794-0.587206500152-0.2031451323760.96302965165-0.1071254895720.58434091666242.105644614713.983866999251.5107640106
104.71155908596-0.270474359052.484228420785.94145708107-3.723334605289.16438365663-0.02591595277570.2603914311670.008895014782660.03232655695610.366870179244-0.3405933427380.3344437585570.705225901584-0.1437737295730.3149596483430.0358943247695-0.04236461829740.4421595719730.01183476396950.19095871197830.47045128810.84734091787339.603454551
114.428802951630.303877978805-0.1680797453313.32924892339-1.677572187780.8458870950410.205721932004-0.4281277602340.7485522476740.48852099392-0.11662876464-0.0630036570383-0.3396845000180.105870724694-0.01101565024610.610418482859-0.4157681768310.05675331054610.698654321269-0.06460054228490.51320899601633.342633213415.670119632942.5077917523
120.317097003069-0.223160720872-0.4034687210680.1525361454010.2785904419870.7728055126160.1465099609710.151744162190.2821490846550.0759236616280.268725863440.285440803042-0.344070270322-0.196048028314-0.6681136186140.720437604515-0.4264542074540.06688051117280.7017324369840.1838347603840.32178562228235.139315202318.924967781743.4700637829
131.662783916770.467432721854-0.1382247057991.551916736720.9598766337651.906711043150.05451246840520.04914521308950.1776537604010.118121083508-0.399905132399-0.139410853929-0.4218149748930.3834088008640.3239416971880.451068239286-0.389698501071-0.1653425504611.330560991460.1520955104960.37457598392540.91501727613.439832684345.8367605921
144.180143738233.922021312395.423962137965.73287990485.980144184657.431387887820.247621514036-0.5847869641850.2380817923270.209919236118-0.3010131271220.195837686104-0.407225205524-0.04241427997710.1546491985740.500949494281-0.144689015735-0.01728913806430.362396035241-0.01774597049820.066557008332425.77736382710.955168392242.4195330943
154.238472799-0.005895363477342.115669708571.932008312460.2220229269522.71127609205-0.2142089331-0.5857701513420.3024642833850.5625377118740.144526805471-0.217183392343-0.3860471816390.5102924081490.01949732576570.892835114553-0.316282871534-0.03333254108540.511746600539-0.05562775554250.19754977268932.273925094514.771006128354.958929841
165.06618048118-1.627110085910.5923783832681.20193779208-0.1101243968543.709525808610.2497499478470.3971138467690.536256531559-0.0979573498072-0.214409227618-0.319085534453-0.1831752703330.172798105929-0.03406692697720.20811079826-0.002587098594710.05711043678250.1469298305460.05278476583320.25727607050431.79586576566.4927050119570.0367434571
172.95711116055-0.007464365468131.453221115781.71075139656-1.43064926151.89885374734-0.1681668427060.3962821293050.1492837808570.05018199895540.03303178205760.0476098393038-0.2355171665420.1599928149870.01290690584450.1140277791140.00565914356041-0.01584911577470.314813917925-0.001629075810710.27390668197937.2230100764.089480841978.2387500913
183.09499761378-0.7449613996540.1954055442193.65702471777-0.6330386163782.92994855309-0.0488814491767-0.112542322415-0.254245570178-0.1265198446870.0919715954432-0.06925941672510.1956316535660.00735915980565-0.07476773626410.1453294068280.05912385271140.02284426019810.169726428086-0.0008827099962150.24723382913532.1949815183-10.574958690583.9345320399
192.01262979358-0.5125585170460.1086147562892.42767846976-0.9002029213022.3193986306-0.0596500933716-0.472910053036-0.3022806519270.09013461203610.14089021894-0.3920670470660.219194316770.645206002823-0.0109786474850.170070214760.09005806298520.03078336079770.315888901209-0.0501733534310.27340995923635.4596185569-9.4168721696391.5189787819
204.44261373756-0.1129160371651.437654117062.02723068634-1.116069631113.77405925887-0.00771400749634-0.490350857108-0.1356027720580.09968281975770.1023995157010.08023584250380.0788407337281-0.371687040926-0.1115993091550.1528128817480.06808759891830.01533440711440.147997463616-0.01707357044140.20802683177419.9725759301-4.9003085134685.889104482
212.05080870335-0.0429534907584-0.9696063715213.094127057010.09936522682311.83803456505-0.113442289746-0.1589370285910.2250739961010.1609697118440.2407782635390.318923621218-0.2768785928130.0673616883609-0.07102164886630.1451855622880.0602954925796-0.02061467634440.2779504546130.003787512322610.1684242862116.93623087727.2723780981582.8961197287
223.45362938647-0.132587737319-0.6300342442974.84281316851.226877069182.14976400945-0.004703792389360.2051101611880.2037046090010.1507758109360.1024163075070.773478909456-0.03520432949-0.5506236130150.0511508720530.1291713449010.0574399650885-0.01295312029790.2581852578230.01111834315820.3383795753727.721270913371.705171204783.5488165004
231.919344352950.659493101682.28176761511.647626181870.9827998325833.197330337470.0362699184942-0.0588478492482-0.160935170064-0.1936987286250.3614069528660.1165196547720.229327770009-0.1287347555880.1350177337980.432123727332-0.118791749425-0.1357130910330.4644911309290.0361640740870.077515815537420.90350188490.85652579395650.4693142873
244.247699537410.7323843036564.225951825211.293424019460.1845425803715.14056720580.1535806306150.2165916290.150768208433-0.249075599334-0.08863030818730.216337149120.684478211506-0.468339152574-0.2452481597730.264348641911-0.145975108751-0.04450357934730.5643366966380.002665350159270.20799620790716.4407921819-0.15640898715456.6876509935
252.93334587902-0.8609974693632.376309339281.05553680986-0.1284989568913.514232777120.0258502132028-0.145890933606-0.009019081335930.18884119572-0.162807955958-0.0311958972940.134572304927-0.773698026353-0.06569539294330.530414679958-0.4164401624970.01286811200020.8812719637160.05797577357410.2356284950157.87301296983-0.18741920964755.5653896697
263.15740079940.1223972793772.255764180584.633255238390.3438866524895.36819292432-0.4908877651460.3755499110590.751176541068-0.710979673172-0.0001091777530250.2827720573410.131590407421-0.8197467124450.4481093342050.306593977243-0.0450162888594-0.004001202434990.3661058417450.03314934600870.39497071715616.99704842496.9773036319455.9770171231
273.659330673660.2317555598611.104017207710.7209917151990.3492760991420.4432520779190.003686470079681.067871522320.184205438346-0.9914114601450.04925139070510.462460048860.199082217452-0.221354456942-0.04854391833430.588942791359-0.159256479563-0.1679790829850.9575362806640.1825757339610.2552557668810.14443630163.5377194654543.9363842775
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 248 through 296 )AA248 - 2961 - 49
22chain 'A' and (resid 297 through 347 )AA297 - 34750 - 92
33chain 'A' and (resid 348 through 420 )AA348 - 42093 - 165
44chain 'A' and (resid 421 through 447 )AA421 - 447166 - 192
55chain 'A' and (resid 448 through 482 )AA448 - 482193 - 227
66chain 'A' and (resid 483 through 525 )AA483 - 525228 - 270
77chain 'B' and (resid 2 through 10 )BB2 - 101 - 9
88chain 'B' and (resid 11 through 16 )BB11 - 1610 - 15
99chain 'B' and (resid 17 through 25 )BB17 - 2516 - 24
1010chain 'B' and (resid 26 through 34 )BB26 - 3425 - 33
1111chain 'B' and (resid 35 through 41 )BB35 - 4134 - 40
1212chain 'B' and (resid 42 through 55 )BB42 - 5541 - 49
1313chain 'B' and (resid 56 through 72 )BB56 - 7250 - 62
1414chain 'B' and (resid 73 through 88 )BB73 - 8863 - 78
1515chain 'B' and (resid 89 through 93 )BB89 - 9379 - 83
1616chain 'D' and (resid 250 through 296 )DD250 - 2961 - 47
1717chain 'D' and (resid 297 through 322 )DD297 - 32248 - 66
1818chain 'D' and (resid 323 through 405 )DD323 - 40567 - 149
1919chain 'D' and (resid 406 through 420 )DD406 - 420150 - 164
2020chain 'D' and (resid 421 through 463 )DD421 - 463165 - 207
2121chain 'D' and (resid 464 through 507 )DD464 - 507208 - 251
2222chain 'D' and (resid 508 through 525 )DD508 - 525252 - 269
2323chain 'E' and (resid 2 through 21 )EE2 - 211 - 14
2424chain 'E' and (resid 22 through 42 )EE22 - 4215 - 35
2525chain 'E' and (resid 43 through 71 )EE43 - 7136 - 55
2626chain 'E' and (resid 72 through 88 )EE72 - 8856 - 72
2727chain 'E' and (resid 89 through 95 )EE89 - 9573 - 79

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