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- PDB-7dct: Crystal structure of HSF1 DNA-binding domain in complex with 3-si... -

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Basic information

Entry
Database: PDB / ID: 7dct
TitleCrystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
Components
  • DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')
  • DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')
  • Heat shock factor protein 1
KeywordsDNA BINDING PROTEIN/DNA / DNA BINDING PROTEIN-DNA COMPLEX
Function / homology
Function and homology information


cellular response to nitroglycerin / response to hypobaric hypoxia / sequence-specific single stranded DNA binding / cellular response to diamide / cellular response to L-glutamine / negative regulation of double-strand break repair via nonhomologous end joining / positive regulation of stress granule assembly / response to peptide / positive regulation of apoptotic DNA fragmentation / negative regulation of inclusion body assembly ...cellular response to nitroglycerin / response to hypobaric hypoxia / sequence-specific single stranded DNA binding / cellular response to diamide / cellular response to L-glutamine / negative regulation of double-strand break repair via nonhomologous end joining / positive regulation of stress granule assembly / response to peptide / positive regulation of apoptotic DNA fragmentation / negative regulation of inclusion body assembly / positive regulation of inclusion body assembly / cellular response to sodium arsenite / translation elongation factor binding / nuclear stress granule / positive regulation of macrophage differentiation / cellular response to potassium ion / cellular response to angiotensin / protein folding chaperone complex / negative regulation of cardiac muscle cell apoptotic process / RNA polymerase II intronic transcription regulatory region sequence-specific DNA binding / STAT family protein binding / response to psychosocial stress / mitotic spindle pole / response to testosterone / general transcription initiation factor binding / HSF1-dependent transactivation / cellular response to unfolded protein / HSF1 activation / Regulation of HSF1-mediated heat shock response / Attenuation phase / mRNA transport / negative regulation of protein-containing complex assembly / heterochromatin / regulation of cellular response to heat / positive regulation of tyrosine phosphorylation of STAT protein / heat shock protein binding / cellular response to copper ion / cellular response to cadmium ion / positive regulation of mitotic cell cycle / response to nutrient / response to activity / cellular response to estradiol stimulus / promoter-specific chromatin binding / positive regulation of DNA-binding transcription factor activity / Hsp90 protein binding / euchromatin / cellular response to gamma radiation / PML body / chromatin DNA binding / kinetochore / DNA-binding transcription repressor activity, RNA polymerase II-specific / defense response / cellular response to hydrogen peroxide / Aggrephagy / mRNA processing / sequence-specific double-stranded DNA binding / MAPK cascade / cellular response to xenobiotic stimulus / positive regulation of cold-induced thermogenesis / cellular response to heat / cellular response to lipopolysaccharide / protein-containing complex assembly / DNA-binding transcription activator activity, RNA polymerase II-specific / sequence-specific DNA binding / transcription cis-regulatory region binding / DNA-binding transcription factor activity, RNA polymerase II-specific / protein heterodimerization activity / ribonucleoprotein complex / DNA-binding transcription factor activity / RNA polymerase II cis-regulatory region sequence-specific DNA binding / negative regulation of gene expression / DNA repair / centrosome / positive regulation of gene expression / chromatin / regulation of transcription by RNA polymerase II / protein kinase binding / perinuclear region of cytoplasm / negative regulation of transcription by RNA polymerase II / positive regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm / identical protein binding / nucleus / cytosol / cytoplasm
Similarity search - Function
Vertebrate heat shock transcription factor, C-terminal domain / Vertebrate heat shock transcription factor / Heat shock factor (HSF)-type, DNA-binding / Heat shock transcription factor family / HSF-type DNA-binding / HSF-type DNA-binding domain signature. / heat shock factor / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily
Similarity search - Domain/homology
DNA / DNA (> 10) / Heat shock factor protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.36 Å
AuthorsFeng, N. / Liu, W.
CitationJournal: Iscience / Year: 2021
Title: Structures of heat shock factor trimers bound to DNA.
Authors: Feng, N. / Feng, H. / Wang, S. / Punekar, A.S. / Ladenstein, R. / Wang, D.C. / Zhang, Q. / Ding, J. / Liu, W.
History
DepositionOct 27, 2020Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jul 14, 2021Provider: repository / Type: Initial release
Revision 1.1Sep 15, 2021Group: Database references / Structure summary
Category: audit_author / citation ...audit_author / citation / citation_author / database_2
Item: _audit_author.name / _citation.country ..._audit_author.name / _citation.country / _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 / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Heat shock factor protein 1
B: Heat shock factor protein 1
C: Heat shock factor protein 1
D: Heat shock factor protein 1
E: Heat shock factor protein 1
F: Heat shock factor protein 1
G: DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')
H: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')
I: DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')
J: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)108,80712
Polymers108,76110
Non-polymers462
Water2,882160
1
A: Heat shock factor protein 1
B: Heat shock factor protein 1
C: Heat shock factor protein 1
G: DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')
H: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,4046
Polymers54,3815
Non-polymers231
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7980 Å2
ΔGint-60 kcal/mol
Surface area20820 Å2
MethodPISA
2
D: Heat shock factor protein 1
E: Heat shock factor protein 1
F: Heat shock factor protein 1
I: DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')
J: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)54,4046
Polymers54,3815
Non-polymers231
Water905
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7840 Å2
ΔGint-55 kcal/mol
Surface area21150 Å2
MethodPISA
Unit cell
Length a, b, c (Å)85.559, 94.710, 142.259
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 15 through 82 or resid 96 through 119))
21(chain B and (resid 15 through 82 or resid 96 through 119))
31(chain C and (resid 15 through 82 or resid 96 through 119))
41(chain D and (resid 15 through 82 or resid 96 through 119))
51(chain E and (resid 15 through 82 or resid 96 through 119))
61(chain F and resid 15 through 119)
12chain H
22chain J
13chain G
23chain I

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111VALVALVALVAL(chain A and (resid 15 through 82 or resid 96 through 119))AA15 - 828 - 75
121ASPASPVALVAL(chain A and (resid 15 through 82 or resid 96 through 119))AA96 - 11989 - 112
211VALVALVALVAL(chain B and (resid 15 through 82 or resid 96 through 119))BB15 - 828 - 75
221ASPASPVALVAL(chain B and (resid 15 through 82 or resid 96 through 119))BB96 - 11989 - 112
311VALVALVALVAL(chain C and (resid 15 through 82 or resid 96 through 119))CC15 - 828 - 75
321ASPASPVALVAL(chain C and (resid 15 through 82 or resid 96 through 119))CC96 - 11989 - 112
411VALVALVALVAL(chain D and (resid 15 through 82 or resid 96 through 119))DD15 - 828 - 75
421ASPASPVALVAL(chain D and (resid 15 through 82 or resid 96 through 119))DD96 - 11989 - 112
511VALVALVALVAL(chain E and (resid 15 through 82 or resid 96 through 119))EE15 - 828 - 75
521ASPASPVALVAL(chain E and (resid 15 through 82 or resid 96 through 119))EE96 - 11989 - 112
611VALVALVALVAL(chain F and resid 15 through 119)FF15 - 1198 - 112
112DADADCDCchain HHH0 - 231 - 24
212DADADCDCchain JJJ0 - 231 - 24
113DTDTDGDGchain GGG0 - 231 - 24
213DTDTDGDGchain III0 - 231 - 24

NCS ensembles :
ID
1
2
3

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Components

#1: Protein
Heat shock factor protein 1 / HSF 1 / Heat shock transcription factor 1 / HSTF 1


Mass: 13214.025 Da / Num. of mol.: 6 / Fragment: UNP residues 15-120
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HSF1, HSTF1 / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): K-12 / References: UniProt: Q00613
#2: DNA chain DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3')


Mass: 7415.787 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: DNA satellites (virus)
#3: DNA chain DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3')


Mass: 7322.756 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: DNA satellites (virus)
#4: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Na
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 160 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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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: 2.91 Å3/Da / Density % sol: 57.7 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 2% v/v Tacsimate pH 6.0, 0.1 M Bis-Tris pH 6.5 and 21% (w/v) PEG 3350

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Data collection

DiffractionMean temperature: 80 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.97949 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 5, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97949 Å / Relative weight: 1
ReflectionResolution: 2.36→85.56 Å / Num. obs: 43397 / % possible obs: 99.9 % / Redundancy: 13.1 % / Rpim(I) all: 0.028 / Net I/σ(I): 14.5
Reflection shellResolution: 2.36→2.49 Å / Redundancy: 13.8 % / Mean I/σ(I) obs: 2 / Rpim(I) all: 0.383 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
PDB_EXTRACT3.25data extraction
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5HDG

5hdg


Resolution: 2.36→63.489 Å / SU ML: 0.33 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 25.85 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2236 2199 5.07 %
Rwork0.1862 41198 -
obs0.1882 43397 89.94 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 161.26 Å2 / Biso mean: 63.3424 Å2 / Biso min: 24.3 Å2
Refinement stepCycle: final / Resolution: 2.36→63.489 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4808 1956 2 160 6926
Biso mean--41.73 47.84 -
Num. residues----679
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0077137
X-RAY DIFFRACTIONf_angle_d1.10810054
X-RAY DIFFRACTIONf_chiral_restr0.0581080
X-RAY DIFFRACTIONf_plane_restr0.007956
X-RAY DIFFRACTIONf_dihedral_angle_d17.8073848
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A2688X-RAY DIFFRACTION12.112TORSIONAL
12B2688X-RAY DIFFRACTION12.112TORSIONAL
13C2688X-RAY DIFFRACTION12.112TORSIONAL
14D2688X-RAY DIFFRACTION12.112TORSIONAL
15E2688X-RAY DIFFRACTION12.112TORSIONAL
16F2688X-RAY DIFFRACTION12.112TORSIONAL
21H472X-RAY DIFFRACTION12.112TORSIONAL
22J472X-RAY DIFFRACTION12.112TORSIONAL
31G472X-RAY DIFFRACTION12.112TORSIONAL
32I472X-RAY DIFFRACTION12.112TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.36-2.41130.3602850.2949160257
2.4113-2.46740.3641990.2679174462
2.4674-2.52910.2755920.2589191368
2.5291-2.59750.30031260.2506213075
2.5975-2.67390.30981330.2476234883
2.6739-2.76020.32071190.2458271495
2.7602-2.85890.30631510.2542282099
2.8589-2.97340.30751510.26542839100
2.9734-3.10870.31471580.24012830100
3.1087-3.27260.2371560.20792840100
3.2726-3.47760.22381490.18312847100
3.4776-3.74610.21451510.18272876100
3.7461-4.1230.20871590.1542861100
4.123-4.71940.17951550.1395288499
4.7194-5.94530.17711460.15342936100
5.9453-630.17661690.1664301499
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)
10.0189-0.0776-0.01220.3248-0.01820.0043-0.1154-0.218-0.3890.77370.2006-0.1223-0.0807-0.08620.00410.54260.1950.11740.63210.18410.4371-20.2174-1.3878-7.2716
20.04370.0785-0.00350.1531-0.0470.0395-0.1638-0.0851-0.04820.4253-0.1117-0.1974-0.0001-0.22960.00140.57730.1512-0.07570.96880.18170.5543-11.14923.98611.0313
30.0284-0.01170.01420.10740.01130.0579-0.0147-0.48830.11680.459-0.0292-0.1426-0.03590.0734-0.01780.83580.30940.03271.28350.0670.3484-17.54549.16813.1219
40.1648-0.05820.13890.0189-0.06540.3509-0.3199-0.4406-0.30450.11850.2125-0.68320.13540.5395-0.07540.28060.3255-0.03230.8525-0.14490.548-8.41047.857-9.3646
50.02160.00870.01590.0604-0.00210.0137-0.127-0.45560.14070.10290.04660.0598-0.17240.1343-0.00070.50.22230.04980.6017-0.04490.3546-12.67897.0599-16.1554
60.1242-0.07480.0230.1338-0.07510.0401-0.217-0.1826-0.0130.16920.24080.1714-0.00550.17720.02570.34410.05320.11840.53210.03940.2755-21.654110.6423-12.0988
70.380.02840.28910.1935-0.00340.2684-0.7047-0.3488-0.14310.3660.31750.1355-0.1901-0.2533-0.20020.44910.33310.45010.67910.0366-0.2145-24.405813.1915-2.6225
80.2949-0.154-0.16150.52990.05580.83150.0553-0.42280.22760.4770.20830.2293-0.1178-0.30231.17290.69920.2390.27230.84830.24770.4238-24.37724.91620.7574
90.01010.0281-0.00610.0614-0.05470.05520.0866-0.0412-0.23130.25740.03780.07280.0233-0.05110.16020.74280.05920.38980.76270.43760.6967-28.2303-5.0316-3.2693
100.08580.0412-0.00840.017-0.00040.0006-0.1841-0.092-0.16340.03010.04460.15950.143-0.1994-0.0060.54970.01690.1940.6440.02030.7227-31.39143.7358-13.0103
110.1881-0.06630.00070.5270.34030.8014-0.1547-0.2220.2946-0.33260.4511-0.5911-0.68640.54170.06680.5102-0.09820.03630.4903-0.18440.4838-6.778833.0265-19.9774
120.120.1345-0.10470.1778-0.12150.1005-0.1306-0.41190.15270.78960.2065-0.2639-0.2780.37260.07770.44640.0763-0.2240.7119-0.19680.338-9.34828.2024-8.4824
130.06530.0422-0.01140.08010.04040.0236-0.30870.0313-0.0466-0.18280.24560.0808-0.2404-0.2611-0.00180.391-0.0302-0.00730.3826-0.05530.3158-17.971726.9884-19.6049
140.03150.0212-0.01370.02470.00440.00440.1027-0.33340.1856-0.107-0.1159-0.15330.07510.44-0.00070.6096-0.0161-00.6902-0.13960.7816-7.207512.2661-26.1046
150.0343-0.023-0.05190.2538-0.00840.529-0.340.3535-0.2457-0.37480.3554-0.3833-0.6928-0.06540.00490.6634-0.10860.02980.3263-0.04670.4035-14.480434.9561-25.8384
160.40310.07560.21280.1836-0.1420.3542-0.22790.17750.1093-0.0036-0.0256-0.15050.1650.3089-0.06080.34530.0660.07050.274-0.00970.3956-8.10083.02-42.2449
170.1138-0.0442-0.07790.01790.06330.0872-0.1238-0.42790.0609-0.34120.0841-0.17760.59430.5965-0.00460.45540.14020.12640.37790.0030.454-4.9624-2.6509-31.2934
180.0255-0.0075-0.03820.05340.0330.04130.0083-0.01060.0489-0.0101-0.01790.07330.360.35960.00150.50890.00680.08910.34260.04170.4506-11.4575-0.2118-27.2536
190.02870.0129-0.03670.02-0.03390.0318-0.12390.3168-0.27460.1843-0.11370.1140.071-0.0064-0.00060.42420.02270.08540.2432-0.01350.4205-18.3968-1.7938-34.7055
200.1278-0.0714-0.24690.04830.08470.5539-0.41460.0683-0.2892-0.05080.3380.28920.435-0.3368-0.02450.49710.00370.11990.3078-0.09140.5543-16.2067-4.8024-43.3925
210.020.02350.01670.0323-0.0030.01680.20540.45150.2649-0.2506-0.32760.30860.01230.21620.00030.324-0.01010.02240.45090.02450.426-15.0855.8267-49.0597
220.06010.0659-0.03490.0930.01460.09940.0041-0.01370.38660.2334-0.03520.1077-0.3576-0.294300.37410.06350.0080.31070.00690.4754-20.910210.6887-42.4023
231.0102-0.54760.28551.46180.02420.13480.32090.95410.5648-0.47590.1586-0.0496-0.1752-0.53690.70590.39550.150.04930.62520.29880.4379-37.3053-46.9059-76.3245
240.03990.03870.09850.16080.12880.27590.17610.51480.21360.001-0.0073-0.26560.03090.63540.02190.34380.03420.05030.62830.18610.4211-26.3515-51.8165-71.9453
250.1240.14420.0530.16480.05070.02840.06510.18430.11550.30660.139-0.1073-0.2185-0.25830.01730.34430.0869-0.02990.59710.20430.4248-36.9331-54.2849-65.416
260.26630.09160.08260.02710.03550.0291-0.0480.19960.1042-0.0111-0.06710.08440.0014-0.23210.00860.39960.017-0.02650.85040.2470.6242-44.8979-56.3937-71.0876
270.43330.3443-0.04010.20810.00790.00710.14380.7983-0.04550.05750.1002-0.00090.1309-0.63420.02820.5830.0597-0.07950.9240.280.6541-43.8758-53.2253-76.8153
280.0263-0.0014-0.00760.0298-0.02280.055-0.0597-0.1949-0.04160.1518-0.00230.0324-0.0439-0.1236-0.040.50360.79830.17070.79140.78460.8621-46.6031-39.4968-70.0494
290.2627-0.04080.12090.04360.02580.09990.01440.11150.02310.38310.1070.1317-0.0968-0.12540.02370.54440.01660.26770.92130.26330.751-44.4777-48.2201-59.9064
300.074-0.15580.0820.2111-0.04070.13280.09870.42110.0333-0.8154-0.2328-0.24630.33350.4999-0.00070.5448-0.00120.07780.5540.02420.4799-18.8958-76.7547-67.0059
310.876-0.2003-0.0580.09750.00460.01720.22940.8730.2031-0.38960.05990.0199-0.0350.05160.03651.1316-0.0297-0.02360.6882-0.02090.0559-24.8148-71.7523-75.9548
320.03410-0.00360.016-0.07110.24280.15330.2177-0.3006-0.57940.29550.44180.0230.20060.00020.4942-0.0363-0.14970.45020.05730.4267-31.7201-72.1235-67.4678
330.12570.1755-0.12850.4257-0.19160.16610.0614-0.2762-0.01430.1042-0.21810.14720.2804-0.36850.00840.49350.00850.04120.42740.07210.5122-26.0523-72.0275-57.5233
340.0116-0.05190.03240.1309-0.10490.05740.44020.15310.0956-0.4954-0.1996-0.18080.1612-0.17840.00040.7581-0.0736-0.00090.65960.13860.7996-16.5616-56.9767-61.977
350.0666-0.00140.09540.07830.0010.0825-0.30660.0257-0.19070.08580.2723-0.54460.0360.2972-0.00090.5229-0.01410.00010.4226-0.04510.4555-19.1172-76.9363-58.3275
360.1727-0.0681-0.0190.0931-0.03560.01650.294-0.055-0.26480.0029-0.10410.3350.5224-0.2180.00110.5571-0.1212-0.00880.5613-0.00280.5696-27.8883-84.0194-56.5766
370.2794-0.24180.15520.2361-0.14470.28020.15440.07060.11430.029-0.3624-0.0907-0.04690.8197-0.10770.4295-0.2451-0.06820.57990.08180.5378-9.4453-48.3163-46.5509
380.8642-0.03420.24350.07810.02270.0816-0.04740.59250.5884-0.2095-0.18510.1193-0.53020.5977-0.11050.5926-0.211-0.07230.40440.20810.6372-14.6038-42.9686-56.9769
390.02240.03190.00740.04410.0060.00490.0867-0.28090.74690.01750.0475-0.0471-0.1584-0.1473-0.00120.5981-0.08190.00110.35450.10490.7344-22.1716-42.8745-47.5007
400.2361-0.17030.21820.152-0.23220.4301-0.1542-0.09780.34830.640.3641-0.0365-0.6133-0.23040.02911.0154-0.6093-0.0695-0.3928-0.28590.6182-15.8455-41.0019-40.2379
410.0120.0227-0.0220.0326-0.01350.07790.0612-0.34370.07770.3725-0.4228-0.0139-0.36520.5185-0.0010.5051-0.1719-0.02460.51010.04780.4567-11.9375-51.38-37.4479
420.0940.15610.14880.26150.27470.27940.3809-0.3249-0.0343-0.05720.08030.17740.3287-0.25570.04510.6332-0.2412-0.07350.49560.15580.4508-20.5993-55.764-40.294
430.0805-0.09880.12280.0621-0.11520.2117-0.20190.13180.54720.18130.34271.3204-0.3515-0.1549-0.0330.78420.3367-0.14110.6291-0.25451.3175-33.393241.8809-12.2859
440.87270.06530.22580.4378-0.09570.0765-0.1401-0.8005-0.0584-0.1820.09330.3962-0.3626-0.38540.01350.64630.22550.14420.6175-0.1470.2481-24.014425.7093-8.8547
450.0626-0.0303-0.00240.05870.01860.00350.34440.16340.0812-0.2316-0.09890.0870.267-0.28260.00090.31280.02690.07430.4487-0.01670.3763-27.662313.8324-23.305
460.90490.12330.61150.7636-0.31040.6681-0.03630.0245-0.5495-0.2661-0.54980.25930.9204-0.0361-1.12030.7282-0.13980.19130.2998-0.22810.6762-25.8061-8.0754-30.3564
471.1341-0.17211.46310.0626-0.28241.94440.2933-0.2009-1.0583-0.081-0.2346-0.17150.646-0.8770.74040.5126-0.17030.19150.2691-0.18140.8377-26.3443-8.7287-32.2907
480.81650.07880.42150.59330.0380.7575-0.1655-0.09940.27430.1689-0.0280.1001-0.1784-0.1775-0.17260.37140.08640.10580.377-0.05310.3649-26.249124.7945-13.6584
490.18830.1604-0.16610.1098-0.0850.5266-0.349-0.3461-0.49850.16690.0720.79010.44620.0547-0.01240.9969-0.6-0.06740.75590.19251.3239-45.9496-86.7484-60.7259
500.44760.1339-0.44980.29380.03090.55290.27620.38220.0328-0.1530.05440.30590.1414-0.47010.29650.4543-0.1385-0.25360.56340.19530.5092-39.7608-70.1918-67.6555
510.0704-0.0025-0.00590.0519-0.04510.07420.2314-0.33560.31010.2653-0.16520.0571-0.6617-0.5496-0.00280.3543-0.1293-0.00940.53260.10990.3485-36.047-58.4096-52.9974
520.07420.0136-0.09720.0428-0.00830.05960.33730.110.53760.2151-0.2640.0972-1.0074-0.3677-0.00050.69080.06140.06040.35890.07720.7029-29.0315-41.5579-53.7351
530.02460.00630.01020.0217-0.05540.50960.5372-0.36260.10320.52580.13250.1934-0.5647-0.42240.05921.5559-0.07230.26180.8444-0.43181.4821-33.2317-29.8138-40.5724
540.16190.2187-0.24340.4439-0.78742.72910.7595-0.31480.90530.40690.2608-0.0255-1.0806-0.45591.42750.8009-0.06720.31240.3908-0.31530.9348-30.4787-35.5905-46.0384
550.748-0.4062-0.20760.87840.73680.84660.3776-0.5698-0.139-0.6487-0.1530.7457-0.0761-0.740.630.2422-0.2194-0.35230.55410.290.6355-39.4262-69.3836-62.4206
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 14 through 27 )A14 - 27
2X-RAY DIFFRACTION2chain 'A' and (resid 28 through 37 )A28 - 37
3X-RAY DIFFRACTION3chain 'A' and (resid 38 through 48 )A38 - 48
4X-RAY DIFFRACTION4chain 'A' and (resid 49 through 60 )A49 - 60
5X-RAY DIFFRACTION5chain 'A' and (resid 61 through 65 )A61 - 65
6X-RAY DIFFRACTION6chain 'A' and (resid 66 through 75 )A66 - 75
7X-RAY DIFFRACTION7chain 'A' and (resid 76 through 96 )A76 - 96
8X-RAY DIFFRACTION8chain 'A' and (resid 97 through 108 )A97 - 108
9X-RAY DIFFRACTION9chain 'A' and (resid 109 through 114 )A109 - 114
10X-RAY DIFFRACTION10chain 'A' and (resid 115 through 119 )A115 - 119
11X-RAY DIFFRACTION11chain 'B' and (resid 14 through 48 )B14 - 48
12X-RAY DIFFRACTION12chain 'B' and (resid 49 through 65 )B49 - 65
13X-RAY DIFFRACTION13chain 'B' and (resid 66 through 81 )B66 - 81
14X-RAY DIFFRACTION14chain 'B' and (resid 82 through 95 )B82 - 95
15X-RAY DIFFRACTION15chain 'B' and (resid 96 through 119 )B96 - 119
16X-RAY DIFFRACTION16chain 'C' and (resid 14 through 48 )C14 - 48
17X-RAY DIFFRACTION17chain 'C' and (resid 49 through 60 )C49 - 60
18X-RAY DIFFRACTION18chain 'C' and (resid 61 through 65 )C61 - 65
19X-RAY DIFFRACTION19chain 'C' and (resid 66 through 75 )C66 - 75
20X-RAY DIFFRACTION20chain 'C' and (resid 76 through 99 )C76 - 99
21X-RAY DIFFRACTION21chain 'C' and (resid 100 through 108 )C100 - 108
22X-RAY DIFFRACTION22chain 'C' and (resid 109 through 119 )C109 - 119
23X-RAY DIFFRACTION23chain 'D' and (resid 13 through 48 )D13 - 48
24X-RAY DIFFRACTION24chain 'D' and (resid 49 through 65 )D49 - 65
25X-RAY DIFFRACTION25chain 'D' and (resid 66 through 76 )D66 - 76
26X-RAY DIFFRACTION26chain 'D' and (resid 77 through 81 )D77 - 81
27X-RAY DIFFRACTION27chain 'D' and (resid 82 through 108 )D82 - 108
28X-RAY DIFFRACTION28chain 'D' and (resid 109 through 114 )D109 - 114
29X-RAY DIFFRACTION29chain 'D' and (resid 115 through 119 )D115 - 119
30X-RAY DIFFRACTION30chain 'E' and (resid 15 through 48 )E15 - 48
31X-RAY DIFFRACTION31chain 'E' and (resid 49 through 60 )E49 - 60
32X-RAY DIFFRACTION32chain 'E' and (resid 61 through 75 )E61 - 75
33X-RAY DIFFRACTION33chain 'E' and (resid 76 through 81 )E76 - 81
34X-RAY DIFFRACTION34chain 'E' and (resid 82 through 96 )E82 - 96
35X-RAY DIFFRACTION35chain 'E' and (resid 97 through 108 )E97 - 108
36X-RAY DIFFRACTION36chain 'E' and (resid 109 through 119 )E109 - 119
37X-RAY DIFFRACTION37chain 'F' and (resid 14 through 48 )F14 - 48
38X-RAY DIFFRACTION38chain 'F' and (resid 49 through 65 )F49 - 65
39X-RAY DIFFRACTION39chain 'F' and (resid 66 through 75 )F66 - 75
40X-RAY DIFFRACTION40chain 'F' and (resid 76 through 99 )F76 - 99
41X-RAY DIFFRACTION41chain 'F' and (resid 100 through 108 )F100 - 108
42X-RAY DIFFRACTION42chain 'F' and (resid 109 through 119 )F109 - 119
43X-RAY DIFFRACTION43chain 'G' and (resid 0 through 4 )G0 - 4
44X-RAY DIFFRACTION44chain 'G' and (resid 5 through 9 )G5 - 9
45X-RAY DIFFRACTION45chain 'G' and (resid 10 through 14 )G10 - 14
46X-RAY DIFFRACTION46chain 'G' and (resid 15 through 23 )G15 - 23
47X-RAY DIFFRACTION47chain 'H' and (resid 0 through 9 )H0 - 9
48X-RAY DIFFRACTION48chain 'H' and (resid 10 through 23 )H10 - 23
49X-RAY DIFFRACTION49chain 'I' and (resid 0 through 4 )I0 - 4
50X-RAY DIFFRACTION50chain 'I' and (resid 5 through 9 )I5 - 9
51X-RAY DIFFRACTION51chain 'I' and (resid 10 through 14 )I10 - 14
52X-RAY DIFFRACTION52chain 'I' and (resid 15 through 19 )I15 - 19
53X-RAY DIFFRACTION53chain 'I' and (resid 20 through 23 )I20 - 23
54X-RAY DIFFRACTION54chain 'J' and (resid 0 through 9 )J0 - 9
55X-RAY DIFFRACTION55chain 'J' and (resid 10 through 23 )J10 - 23

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