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- PDB-8hbm: Structural basis of the farnesoid X receptor/retinoid X receptor ... -

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Basic information

Entry
Database: PDB / ID: 8hbm
TitleStructural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
Components
  • Bile acid receptor
  • DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')
  • DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')
  • Retinoic acid receptor RXR-alpha
KeywordsDNA BINDING PROTEIN/DNA / FXR / RXR / DNA / DNA BINDING PROTEIN / DNA BINDING PROTEIN-DNA complex
Function / homology
Function and homology information


: / chenodeoxycholic acid binding / positive regulation of phosphatidic acid biosynthetic process / : / positive regulation of ammonia assimilation cycle / regulation of low-density lipoprotein particle clearance / intracellular triglyceride homeostasis / cellular response to bile acid / negative regulation of very-low-density lipoprotein particle remodeling / retinoic acid-responsive element binding ...: / chenodeoxycholic acid binding / positive regulation of phosphatidic acid biosynthetic process / : / positive regulation of ammonia assimilation cycle / regulation of low-density lipoprotein particle clearance / intracellular triglyceride homeostasis / cellular response to bile acid / negative regulation of very-low-density lipoprotein particle remodeling / retinoic acid-responsive element binding / negative regulation of interleukin-1 production / NR1H2 & NR1H3 regulate gene expression linked to triglyceride lipolysis in adipose / NR1H2 & NR1H3 regulate gene expression linked to gluconeogenesis / NR1H2 & NR1H3 regulate gene expression to limit cholesterol uptake / positive regulation of thyroid hormone receptor signaling pathway / regulation of bile acid biosynthetic process / regulation of insulin secretion involved in cellular response to glucose stimulus / negative regulation of monocyte chemotactic protein-1 production / NR1H2 & NR1H3 regulate gene expression linked to lipogenesis / toll-like receptor 9 signaling pathway / nuclear receptor-mediated bile acid signaling pathway / bile acid nuclear receptor activity / Carnitine shuttle / bile acid metabolic process / retinoic acid binding / bile acid binding / cell-cell junction assembly / cellular response to fatty acid / TGFBR3 expression / positive regulation of vitamin D receptor signaling pathway / nuclear vitamin D receptor binding / regulation of cholesterol metabolic process / Signaling by Retinoic Acid / DNA binding domain binding / negative regulation of interleukin-2 production / NR1H2 & NR1H3 regulate gene expression to control bile acid homeostasis / bile acid and bile salt transport / LBD domain binding / intracellular glucose homeostasis / positive regulation of interleukin-17 production / negative regulation of interleukin-6 production / negative regulation of type II interferon production / nuclear steroid receptor activity / Synthesis of bile acids and bile salts / negative regulation of tumor necrosis factor production / positive regulation of cholesterol efflux / Synthesis of bile acids and bile salts via 27-hydroxycholesterol / negative regulation of tumor necrosis factor-mediated signaling pathway / Endogenous sterols / positive regulation of insulin receptor signaling pathway / Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol / fatty acid homeostasis / response to retinoic acid / positive regulation of bone mineralization / positive regulation of insulin secretion involved in cellular response to glucose stimulus / nuclear retinoid X receptor binding / Recycling of bile acids and salts / Transcriptional regulation of brown and beige adipocyte differentiation by EBF2 / retinoic acid receptor signaling pathway / NR1H3 & NR1H2 regulate gene expression linked to cholesterol transport and efflux / intracellular receptor signaling pathway / hormone-mediated signaling pathway / Notch signaling pathway / : / positive regulation of adipose tissue development / Regulation of lipid metabolism by PPARalpha / negative regulation of canonical NF-kappaB signal transduction / peroxisome proliferator activated receptor signaling pathway / peptide binding / BMAL1:CLOCK,NPAS2 activates circadian expression / Activation of gene expression by SREBF (SREBP) / cholesterol homeostasis / nuclear receptor binding / transcription coregulator binding / RNA polymerase II transcription regulatory region sequence-specific DNA binding / SUMOylation of intracellular receptors / mRNA transcription by RNA polymerase II / Heme signaling / euchromatin / Transcriptional activation of mitochondrial biogenesis / PPARA activates gene expression / Cytoprotection by HMOX1 / Nuclear Receptor transcription pathway / Transcriptional regulation of white adipocyte differentiation / negative regulation of inflammatory response / RNA polymerase II transcription regulator complex / Activation of anterior HOX genes in hindbrain development during early embryogenesis / nuclear receptor activity / Transcriptional regulation of granulopoiesis / sequence-specific double-stranded DNA binding / : / nervous system development / cellular response to lipopolysaccharide / MLL4 and MLL3 complexes regulate expression of PPARG target genes in adipogenesis and hepatic steatosis / double-stranded DNA binding / DNA-binding transcription activator activity, RNA polymerase II-specific / transcription regulator complex / sequence-specific DNA binding / transcription by RNA polymerase II / DNA-binding transcription factor activity, RNA polymerase II-specific
Similarity search - Function
Bile acid receptor, ligand binding domain / Nuclear/hormone receptor activator site AF-1 / Nuclear/hormone receptor activator site AF-1 / Thyroid hormone receptor / Retinoid X receptor/HNF4 / : / : / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. / Zinc finger, nuclear hormone receptor-type ...Bile acid receptor, ligand binding domain / Nuclear/hormone receptor activator site AF-1 / Nuclear/hormone receptor activator site AF-1 / Thyroid hormone receptor / Retinoid X receptor/HNF4 / : / : / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. / Zinc finger, nuclear hormone receptor-type / Double treble clef zinc finger, C4 type / Nuclear hormone receptors DNA-binding domain profile. / c4 zinc finger in nuclear hormone receptors / Nuclear hormone receptor, ligand-binding domain / Nuclear hormone receptor-like domain superfamily / Ligand-binding domain of nuclear hormone receptor / Nuclear receptor (NR) ligand-binding (LBD) domain profile. / Ligand binding domain of hormone receptors / Zinc finger, NHR/GATA-type
Similarity search - Domain/homology
DNA / DNA (> 10) / Retinoic acid receptor RXR-alpha / Bile acid receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsJiang, L. / Chen, Y.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)81974074 and 82172654 China
CitationJournal: Comput Struct Biotechnol J / Year: 2023
Title: Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Authors: Jiang, L. / Liu, X. / Liang, X. / Dai, S. / Wei, H. / Guo, M. / Chen, Z. / Xiao, D. / Chen, Y.
History
DepositionOct 29, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jun 14, 2023Provider: repository / Type: Initial release
Revision 1.1Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2May 1, 2024Group: Database references / Category: citation / Item: _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Retinoic acid receptor RXR-alpha
B: Bile acid receptor
C: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')
D: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')
E: Retinoic acid receptor RXR-alpha
F: Bile acid receptor
G: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')
H: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)68,87216
Polymers68,3498
Non-polymers5238
Water00
1
A: Retinoic acid receptor RXR-alpha
B: Bile acid receptor
C: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')
D: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,4368
Polymers34,1744
Non-polymers2624
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5390 Å2
ΔGint-28 kcal/mol
Surface area13350 Å2
MethodPISA
2
E: Retinoic acid receptor RXR-alpha
F: Bile acid receptor
G: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')
H: DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,4368
Polymers34,1744
Non-polymers2624
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4080 Å2
ΔGint-34 kcal/mol
Surface area13930 Å2
MethodPISA
Unit cell
Length a, b, c (Å)50.650, 60.016, 241.797
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 132 through 140 or (resid 141...
21(chain E and (resid 132 through 171 or resid 173 through 209))
12(chain B and (resid 124 or (resid 125 and (name...
22(chain F and (resid 124 through 147 or (resid 148...
13(chain C and (resid 2 through 9 or resid 11 through 18))
23(chain D and (resid 2 through 9 or resid 11 through 18))
33(chain G and (resid 2 through 9 or resid 11 through 18))
43(chain H and (resid 2 through 9 or resid 11 through 18))

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
111LYSLYSASPASP(chain A and (resid 132 through 140 or (resid 141...AA132 - 14011 - 19
121ARGARGARGARG(chain A and (resid 132 through 140 or (resid 141...AA14120
131THRTHRARGARG(chain A and (resid 132 through 140 or (resid 141...AA131 - 20910 - 88
141THRTHRARGARG(chain A and (resid 132 through 140 or (resid 141...AA131 - 20910 - 88
151THRTHRARGARG(chain A and (resid 132 through 140 or (resid 141...AA131 - 20910 - 88
161THRTHRARGARG(chain A and (resid 132 through 140 or (resid 141...AA131 - 20910 - 88
211LYSLYSCYSCYS(chain E and (resid 132 through 171 or resid 173 through 209))EE132 - 17111 - 50
221ASPASPARGARG(chain E and (resid 132 through 171 or resid 173 through 209))EE173 - 20952 - 88
112ASPASPASPASP(chain B and (resid 124 or (resid 125 and (name...BB12416
122GLUGLUGLUGLU(chain B and (resid 124 or (resid 125 and (name...BB12517
132ASPASPCYSCYS(chain B and (resid 124 or (resid 125 and (name...BB124 - 19616 - 88
142ASPASPCYSCYS(chain B and (resid 124 or (resid 125 and (name...BB124 - 19616 - 88
152ASPASPCYSCYS(chain B and (resid 124 or (resid 125 and (name...BB124 - 19616 - 88
162ASPASPCYSCYS(chain B and (resid 124 or (resid 125 and (name...BB124 - 19616 - 88
212ASPASPCYSCYS(chain F and (resid 124 through 147 or (resid 148...FF124 - 14716 - 39
222LYSLYSLYSLYS(chain F and (resid 124 through 147 or (resid 148...FF14840
232ASPASPCYSCYS(chain F and (resid 124 through 147 or (resid 148...FF124 - 19616 - 88
242ASPASPCYSCYS(chain F and (resid 124 through 147 or (resid 148...FF124 - 19616 - 88
252ASPASPCYSCYS(chain F and (resid 124 through 147 or (resid 148...FF124 - 19616 - 88
262ASPASPCYSCYS(chain F and (resid 124 through 147 or (resid 148...FF124 - 19616 - 88
113DCDCDADA(chain C and (resid 2 through 9 or resid 11 through 18))CC2 - 92 - 9
123DTDTDGDG(chain C and (resid 2 through 9 or resid 11 through 18))CC11 - 1811 - 18
213DCDCDADA(chain D and (resid 2 through 9 or resid 11 through 18))DD2 - 92 - 9
223DTDTDGDG(chain D and (resid 2 through 9 or resid 11 through 18))DD11 - 1811 - 18
313DCDCDADA(chain G and (resid 2 through 9 or resid 11 through 18))GG2 - 92 - 9
323DTDTDGDG(chain G and (resid 2 through 9 or resid 11 through 18))GG11 - 1811 - 18
413DCDCDADA(chain H and (resid 2 through 9 or resid 11 through 18))HH2 - 92 - 9
423DTDTDGDG(chain H and (resid 2 through 9 or resid 11 through 18))HH11 - 1811 - 18

NCS ensembles :
ID
1
2
3

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Components

#1: Protein Retinoic acid receptor RXR-alpha / Nuclear receptor subfamily 2 group B member 1 / Retinoid X receptor alpha


Mass: 10733.482 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RXRA, NR2B1 / Production host: Escherichia coli (E. coli) / References: UniProt: P19793
#2: Protein Bile acid receptor / Farnesoid X-activated receptor / Farnesol receptor HRR-1 / Nuclear receptor subfamily 1 group H ...Farnesoid X-activated receptor / Farnesol receptor HRR-1 / Nuclear receptor subfamily 1 group H member 4 / Retinoid X receptor-interacting protein 14 / RXR-interacting protein 14


Mass: 12446.835 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: NR1H4, BAR, FXR, HRR1, RIP14 / Production host: Escherichia coli (E. coli) / References: UniProt: Q96RI1
#3: DNA chain DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3')


Mass: 5501.567 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#4: DNA chain DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3')


Mass: 5492.553 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#5: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
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: 2.69 Å3/Da / Density % sol: 54.25 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop
Details: 100mM BTP pH 6.7, 10mM MgCl2, 50mM MgSO4, 50mM Li2SO4, 5mM DTT, 16% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.97915 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 13, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97915 Å / Relative weight: 1
ReflectionResolution: 3.3→50 Å / Num. obs: 11689 / % possible obs: 97.53 % / Redundancy: 19.99 % / CC1/2: 0.9336 / Net I/σ(I): 7.8
Reflection shellResolution: 3.3→3.4 Å / Num. unique obs: 1131 / CC1/2: 0.9729 / % possible all: 91.12

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PDB_EXTRACT3.27data extraction
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1R0N

1r0n


Resolution: 3.3→49.57 Å / SU ML: 0.52 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 36.34 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3008 1141 9.94 %
Rwork0.2478 10335 -
obs0.2529 11476 97.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 273.21 Å2 / Biso mean: 124.797 Å2 / Biso min: 42.23 Å2
Refinement stepCycle: final / Resolution: 3.3→49.57 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2155 1470 8 0 3633
Biso mean--131.14 --
Num. residues----373
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A440X-RAY DIFFRACTION8.234TORSIONAL
12E440X-RAY DIFFRACTION8.234TORSIONAL
21B424X-RAY DIFFRACTION8.234TORSIONAL
22F424X-RAY DIFFRACTION8.234TORSIONAL
31C616X-RAY DIFFRACTION8.234TORSIONAL
32D616X-RAY DIFFRACTION8.234TORSIONAL
33G616X-RAY DIFFRACTION8.234TORSIONAL
34H616X-RAY DIFFRACTION8.234TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 8

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.3-3.450.43321240.36481191131592
3.45-3.630.37791410.31081254139597
3.63-3.860.40721380.32071246138497
3.86-4.160.30591430.28971284142798
4.16-4.570.28731440.23011300144499
4.58-5.240.26431460.23521310145699
5.24-6.590.30691490.22091335148499
6.6-49.570.25511560.20761415157199
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)
18.2816-0.4935-0.456.33550.3692.0225-0.2266-1.37190.6545-0.00880.74450.0136-1.0444-0.0332-0.03290.45350.08250.08130.5678-0.04940.624-18.9059-19.4011-2.5982
23.6135-0.95931.59218.4849-3.09914.7420.73960.1565-0.6543-1.1438-1.03060.24671.89580.51990.21040.7205-0.009-0.10910.5266-0.09130.749-20.5225-31.404-1.5704
38.244-0.2541-0.23297.6589-0.53191.4380.5332-0.0002-0.255-0.4464-0.42210.63230.9453-0.13590.05541.7777-0.18210.22341.03920.16691.3262-27.5516-38.2959.5845
42.00932.37937.37430.66951.69215.1872-0.3188-0.36341.57610.3743-1.39951.3928-0.1815-0.51641.40790.6038-0.24420.0991.23950.01241.4396-34.1582-27.446316.0158
57.8514-3.2031-0.07622.3775-2.25516.2896-0.3376-2.65180.27511.4191-0.91821.3922-1.6715-0.13160.97320.75340.078-0.02720.8614-0.34520.8804-24.1543-21.66710.6728
62.29550.58270.2632.33460.45723.9101-0.003-0.5607-0.37240.379-0.24360.99351.3052-1.90580.18080.78-0.2198-0.04310.6633-0.060.8982-28.6014-30.16212.177
76.19930.8547-1.84445.36720.02875.92050.0686-0.1331-2.691-1.35440.4762-0.54451.5619-0.7348-0.52771.6122-0.2181-0.34480.8360.17241.0106-18.029-43.4988-5.7177
83.3455-1.31012.98132.2124-0.33983.04440.4576-0.33840.15811.09630.83171.34531.62440.1575-1.18820.73560.02930.08271.3726-0.34061.0593-18.9541-15.674925.9087
95.6617-1.1766-0.5542.3563-0.63233.97411.4901-1.13740.65750.2657-0.8945-0.34450.1389-0.2046-0.3940.9633-0.23650.05311.0986-0.01380.6559-8.8191-21.905424.484
103.2981.7512-1.90062.82920.92692.9566-0.2447-0.6372-0.13490.20270.305-0.21440.66720.61020.18430.94940.0826-0.10550.5631-0.10170.8249-2.3916-14.755311.2908
113.93960.62561.47652.62270.4836.86960.9494-0.60350.57080.6187-0.49930.52340.3467-1.4009-0.35380.5774-0.09510.01570.7324-0.16370.7352-6.0667-16.856418.0516
127.0936-3.66111.64415.3325-3.11562.08150.54580.41920.4642-0.1956-0.382-1.3569-0.7881.624-0.5631.0118-0.01860.01490.9579-0.06091.0006-14.2932-30.9125-12.0208
132.95791.0661.05324.04971.89035.37480.6036-0.1721-1.14940.4542-0.32330.25731.27420.0566-0.37490.91060.09350.00040.85430.0451.0402-10.0291-33.480412.3109
145.1663-2.59790.20252.7742-2.52624.01790.6729-0.9566-0.56241.41871.16730.43910.5880.4249-1.60841.91670.0901-0.22491.84030.43241.2008-10.4551-37.612635.4504
153.59372.30722.68066.4861-1.07193.5667-0.35060.99441.46041.24160.91660.78771.2775-0.6829-0.42732.0052-0.32660.0381.92530.25990.9219-11.3912-28.60934.8858
162.4223-0.91240.57532.6457-0.11374.07240.79810.3322-0.82550.0467-0.093-0.36850.92110.4789-0.7360.992-0.0576-0.14020.7721-0.00431.0108-9.1754-34.02285.0726
172.3989-1.02-1.37044.9797-0.16631.78960.97380.56280.9990.47670.29061.4237-0.359-0.81360.48512.04161.94950.74453.0396-0.25870.8345.83477.276164.5354
184.80180.7277-1.02940.6252-2.25128.98430.04590.54370.36880.58470.7424-0.824-0.5089-1.8516-0.44062.15480.6274-0.16570.9062-0.22191.107817.32248.094358.2328
191.45271.6455-0.23923.75661.75652.3002-0.56980.611-0.37090.09020.40180.50371.25050.3438-0.22082.12450.0627-0.30791.3322-0.06571.451914.8217.893947.4849
207.6311-2.8704-7.05982.23763.50277.12791.47510.92572.3446-0.19481.5508-0.5921-2.9839-1.2933-0.00022.58861.2964-0.1462.1758-0.64380.988.280413.942752.5449
211.89830.76632.79498.0631-0.41188.83590.4965-0.29720.7126-2.3295-0.12241.5421-1.7803-2.54250.6042.58170.2752-0.16172.4882-1.06180.876318.856111.967665.5255
222.1955-0.1976-0.51140.1192-0.22750.76370.36610.11410.13720.10240.70920.41160.39170.18190.5540.97821.7332-0.60784.1568-0.25821.4575-0.27463.504137.6321
235.644-1.63162.0063.7209-0.8456.67331.03160.1868-0.37-0.8638-0.18440.00030.8501-0.5928-0.90651.1905-0.1174-0.06492.35140.18570.9945.7645-4.099434.3482
243.9551-0.3681-2.67681.93191.18673.8252-0.2939-1.9399-0.96490.474-1.05072.7245-0.6741-0.79481.08691.0442-0.1722-0.07382.50820.08751.21830.8525-9.312248.1471
253.31751.25162.8523.20862.63073.2985-1.2615-0.206-0.7771-0.32250.96040.45291.973-0.99760.47781.4547-0.8339-0.09691.9490.15471.13180.8031-10.801538.2333
264.7536-3.2845-4.4552.39782.71787.06490.2973-3.2393-0.1344-0.66570.10141.0155-0.941-1.2775-0.56581.95610.61110.10032.4372-0.18391.285714.25511.642172.5586
273.7885-2.19480.20823.36510.44837.3887-0.36570.177-1.0947-0.03850.77641.00540.17390.3797-0.58591.7379-0.2707-0.0151.5213-0.18461.224819.3206-6.139656.2865
281.5486-1.0389-0.37860.83490.33273.54530.75480.8022-0.51-0.31220.0477-0.65090.0598-0.1565-0.53851.5706-0.0451-0.05021.9268-0.22271.258117.1629-0.00734.4431
297.76632.7792-1.40743.71190.7847.4572-0.11240.39330.04071.5727-0.2292-0.19571.18770.03640.25881.8262-0.34520.04781.45740.09041.156912.194-1.56425.6543
306.1867-1.2708-1.18682.814-0.65284.89330.3699-1.3093-0.8846-0.41890.4624-0.43840.26571.0328-0.82391.4562-0.0149-0.14471.2996-0.18231.088921.211-2.082541.6553
310.6198-0.33850.87893.3525-2.72498.5986-0.4743-0.8043-0.31360.17661.4675-0.8382-1.0034-2.3878-0.71311.7020.0231-0.02512.3364-0.18631.121415.4478-3.970764.2976
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 131 through 143 )A131 - 143
2X-RAY DIFFRACTION2chain 'A' and (resid 144 through 165 )A144 - 165
3X-RAY DIFFRACTION3chain 'A' and (resid 166 through 170 )A166 - 170
4X-RAY DIFFRACTION4chain 'A' and (resid 171 through 175 )A171 - 175
5X-RAY DIFFRACTION5chain 'A' and (resid 176 through 187 )A176 - 187
6X-RAY DIFFRACTION6chain 'A' and (resid 188 through 204 )A188 - 204
7X-RAY DIFFRACTION7chain 'A' and (resid 205 through 209 )A205 - 209
8X-RAY DIFFRACTION8chain 'B' and (resid 124 through 128 )B124 - 128
9X-RAY DIFFRACTION9chain 'B' and (resid 129 through 157 )B129 - 157
10X-RAY DIFFRACTION10chain 'B' and (resid 158 through 172 )B158 - 172
11X-RAY DIFFRACTION11chain 'B' and (resid 173 through 196 )B173 - 196
12X-RAY DIFFRACTION12chain 'C' and (resid 1 through 5 )C1 - 5
13X-RAY DIFFRACTION13chain 'C' and (resid 6 through 15 )C6 - 15
14X-RAY DIFFRACTION14chain 'C' and (resid 16 through 18 )C16 - 18
15X-RAY DIFFRACTION15chain 'D' and (resid 1 through 5 )D1 - 5
16X-RAY DIFFRACTION16chain 'D' and (resid 6 through 18 )D6 - 18
17X-RAY DIFFRACTION17chain 'E' and (resid 132 through 152 )E132 - 152
18X-RAY DIFFRACTION18chain 'E' and (resid 153 through 165 )E153 - 165
19X-RAY DIFFRACTION19chain 'E' and (resid 166 through 175 )E166 - 175
20X-RAY DIFFRACTION20chain 'E' and (resid 176 through 197 )E176 - 197
21X-RAY DIFFRACTION21chain 'E' and (resid 198 through 209 )E198 - 209
22X-RAY DIFFRACTION22chain 'F' and (resid 124 through 133 )F124 - 133
23X-RAY DIFFRACTION23chain 'F' and (resid 134 through 155 )F134 - 155
24X-RAY DIFFRACTION24chain 'F' and (resid 156 through 179 )F156 - 179
25X-RAY DIFFRACTION25chain 'F' and (resid 180 through 196 )F180 - 196
26X-RAY DIFFRACTION26chain 'G' and (resid 1 through 5 )G1 - 5
27X-RAY DIFFRACTION27chain 'G' and (resid 6 through 10 )G6 - 10
28X-RAY DIFFRACTION28chain 'G' and (resid 11 through 18 )G11 - 18
29X-RAY DIFFRACTION29chain 'H' and (resid 1 through 5 )H1 - 5
30X-RAY DIFFRACTION30chain 'H' and (resid 6 through 10 )H6 - 10
31X-RAY DIFFRACTION31chain 'H' and (resid 11 through 18 )H11 - 18

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