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- PDB-6cht: HNF4alpha in complex with the corepressor EBP1 fragment -

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Basic information

Entry
Database: PDB / ID: 6cht
TitleHNF4alpha in complex with the corepressor EBP1 fragment
Components
  • Hepatocyte nuclear factor 4-alpha
  • Proliferation-associated protein 2G4
KeywordsTRANSCRIPTION / HNF4alpha / EBP1 / nuclear receptor / co-repressor / protein-protein interaction / gene regulation / insulin secretion / diabetes
Function / homology
Function and homology information


regulation of growth hormone receptor signaling pathway / ornithine metabolic process / regulation of gastrulation / Nephron development / sex differentiation / phospholipid homeostasis / signal transduction involved in regulation of gene expression / triglyceride homeostasis / lipid homeostasis / Regulation of gene expression in beta cells ...regulation of growth hormone receptor signaling pathway / ornithine metabolic process / regulation of gastrulation / Nephron development / sex differentiation / phospholipid homeostasis / signal transduction involved in regulation of gene expression / triglyceride homeostasis / lipid homeostasis / Regulation of gene expression in beta cells / regulation of insulin secretion / regulation of lipid metabolic process / response to glucose / xenobiotic metabolic process / cholesterol homeostasis / fatty acid binding / positive regulation of cell differentiation / regulation of circadian rhythm / lipid metabolic process / negative regulation of cell growth / Nuclear Receptor transcription pathway / rRNA processing / transcription corepressor activity / nuclear receptor activity / azurophil granule lumen / sequence-specific double-stranded DNA binding / blood coagulation / rhythmic process / glucose homeostasis / regulation of translation / DNA-binding transcription activator activity, RNA polymerase II-specific / RNA polymerase II-specific DNA-binding transcription factor binding / transcription by RNA polymerase II / nucleic acid binding / cell differentiation / transcription cis-regulatory region binding / DNA-binding transcription factor activity, RNA polymerase II-specific / ribonucleoprotein complex / RNA polymerase II cis-regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of cell population proliferation / signaling receptor binding / negative regulation of DNA-templated transcription / ubiquitin protein ligase binding / chromatin binding / Neutrophil degranulation / chromatin / nucleolus / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / protein homodimerization activity / positive regulation of transcription by RNA polymerase II / DNA binding / RNA binding / zinc ion binding / extracellular exosome / extracellular region / nucleoplasm / membrane / nucleus / cytoplasm
Similarity search - Function
: / : / PA2G4 family / : / Peptidase M24A, methionine aminopeptidase, subfamily 2, binding site / Methionine aminopeptidase subfamily 2 signature. / Peptidase M24 / Metallopeptidase family M24 / Creatinase/aminopeptidase-like / Retinoid X Receptor ...: / : / PA2G4 family / : / Peptidase M24A, methionine aminopeptidase, subfamily 2, binding site / Methionine aminopeptidase subfamily 2 signature. / Peptidase M24 / Metallopeptidase family M24 / Creatinase/aminopeptidase-like / Retinoid X Receptor / Retinoid X Receptor / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. / Zinc finger, nuclear hormone receptor-type / Zinc finger, C4 type (two domains) / 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 / Winged helix DNA-binding domain superfamily / Winged helix-like DNA-binding domain superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
LAURIC ACID / Hepatocyte nuclear factor 4-alpha / Proliferation-associated protein 2G4
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.174 Å
AuthorsChi, Y.I. / Singh, P. / Lee, I.K.
Funding support United States, 1items
OrganizationGrant numberCountry
American Diabetes Association7-08-CD-03 United States
CitationJournal: J.Biol.Chem. / Year: 2019
Title: ErbB3-binding protein 1 (EBP1) represses HNF4 alpha-mediated transcription and insulin secretion in pancreatic beta-cells.
Authors: Han, E.H. / Singh, P. / Lee, I.K. / Urrutia, R. / Chi, Y.I.
History
DepositionFeb 22, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 27, 2019Provider: repository / Type: Initial release
Revision 1.1Oct 16, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Oct 4, 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: Hepatocyte nuclear factor 4-alpha
B: Hepatocyte nuclear factor 4-alpha
C: Proliferation-associated protein 2G4
D: Hepatocyte nuclear factor 4-alpha
E: Hepatocyte nuclear factor 4-alpha
F: Proliferation-associated protein 2G4
G: Hepatocyte nuclear factor 4-alpha
H: Hepatocyte nuclear factor 4-alpha
I: Proliferation-associated protein 2G4
J: Hepatocyte nuclear factor 4-alpha
K: Hepatocyte nuclear factor 4-alpha
L: Proliferation-associated protein 2G4
M: Hepatocyte nuclear factor 4-alpha
N: Hepatocyte nuclear factor 4-alpha
P: Hepatocyte nuclear factor 4-alpha
Q: Hepatocyte nuclear factor 4-alpha
S: Hepatocyte nuclear factor 4-alpha
T: Hepatocyte nuclear factor 4-alpha
V: Hepatocyte nuclear factor 4-alpha
W: Hepatocyte nuclear factor 4-alpha
hetero molecules


Theoretical massNumber of molelcules
Total (without water)450,99928
Polymers449,39720
Non-polymers1,6038
Water79344
1
A: Hepatocyte nuclear factor 4-alpha
B: Hepatocyte nuclear factor 4-alpha
C: Proliferation-associated protein 2G4
J: Hepatocyte nuclear factor 4-alpha
K: Hepatocyte nuclear factor 4-alpha
L: Proliferation-associated protein 2G4
M: Hepatocyte nuclear factor 4-alpha
N: Hepatocyte nuclear factor 4-alpha
V: Hepatocyte nuclear factor 4-alpha
W: Hepatocyte nuclear factor 4-alpha
hetero molecules


Theoretical massNumber of molelcules
Total (without water)225,50014
Polymers224,69810
Non-polymers8014
Water1629
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area23970 Å2
ΔGint-119 kcal/mol
Surface area79300 Å2
MethodPISA
2
D: Hepatocyte nuclear factor 4-alpha
E: Hepatocyte nuclear factor 4-alpha
F: Proliferation-associated protein 2G4
G: Hepatocyte nuclear factor 4-alpha
H: Hepatocyte nuclear factor 4-alpha
I: Proliferation-associated protein 2G4
P: Hepatocyte nuclear factor 4-alpha
Q: Hepatocyte nuclear factor 4-alpha
S: Hepatocyte nuclear factor 4-alpha
T: Hepatocyte nuclear factor 4-alpha
hetero molecules


Theoretical massNumber of molelcules
Total (without water)225,50014
Polymers224,69810
Non-polymers8014
Water1267
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area24180 Å2
ΔGint-111 kcal/mol
Surface area78410 Å2
MethodPISA
Unit cell
Length a, b, c (Å)139.721, 104.946, 139.563
Angle α, β, γ (deg.)90.00, 90.61, 90.00
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Hepatocyte nuclear factor 4-alpha / HNF-4-alpha / Nuclear receptor subfamily 2 group A member 1 / Transcription factor 14 / TCF-14 / ...HNF-4-alpha / Nuclear receptor subfamily 2 group A member 1 / Transcription factor 14 / TCF-14 / Transcription factor HNF-4


Mass: 27535.918 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HNF4A, HNF4, NR2A1, TCF14 / Production host: Escherichia coli (E. coli) / References: UniProt: P41235
#2: Protein/peptide
Proliferation-associated protein 2G4 / Cell cycle protein p38-2G4 homolog / hG4-1 / ErbB3-binding protein 1


Mass: 2205.511 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q9UQ80
#3: Chemical
ChemComp-DAO / LAURIC ACID


Mass: 200.318 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C12H24O2
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 44 / Source method: isolated from a natural source / Formula: H2O

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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: 2.28 Å3/Da / Density % sol: 45.98 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.25
Details: 0.1 m Bis-Tris, 26-28% MPD, 3-4% PEG8000, 20-50 mM Glycine and 10% glycerol

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Data collection

DiffractionMean temperature: 173 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: May 13, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.15→49.632 Å / Num. obs: 48984 / % possible obs: 92.5 % / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Rmerge(I) obs: 0.075 / Net I/σ(I): 9.3
Reflection shellResolution: 3.15→3.2 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.402 / Mean I/σ(I) obs: 2.7 / % possible all: 76.2

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1PZL

1pzl


Resolution: 3.174→49.632 Å / Cross valid method: FREE R-VALUE / σ(F): 294.98 / Phase error: 30.93 / Stereochemistry target values: TWIN_LSQ_F
RfactorNum. reflection% reflection
Rfree0.2742 2700 5.51 %
Rwork0.2622 --
obs0.4142 48984 71.57 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.174→49.632 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms26226 0 112 44 26382
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00426777
X-RAY DIFFRACTIONf_angle_d0.85636115
X-RAY DIFFRACTIONf_dihedral_angle_d2.90316530
X-RAY DIFFRACTIONf_chiral_restr0.054161
X-RAY DIFFRACTIONf_plane_restr0.0054592
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1746-3.23570.5482200.5352358X-RAY DIFFRACTION10
3.2357-3.30170.5173330.5062570X-RAY DIFFRACTION15
3.3017-3.37350.5348440.501882X-RAY DIFFRACTION23
3.3735-3.45190.5034660.50031162X-RAY DIFFRACTION31
3.4519-3.53820.5091890.49281610X-RAY DIFFRACTION43
3.5382-3.63380.48971120.47571964X-RAY DIFFRACTION52
3.6338-3.74070.48261240.47012350X-RAY DIFFRACTION62
3.7407-3.86130.48171660.4672698X-RAY DIFFRACTION71
3.8613-3.99930.46031700.45613056X-RAY DIFFRACTION80
3.9993-4.15920.4511720.43293331X-RAY DIFFRACTION88
4.1592-4.34840.44691880.43453460X-RAY DIFFRACTION91
4.3484-4.57740.42271840.41063527X-RAY DIFFRACTION93
4.5774-4.86380.36871640.38883549X-RAY DIFFRACTION93
4.8638-5.23870.36211900.36263532X-RAY DIFFRACTION93
5.2387-5.76470.35021990.33883527X-RAY DIFFRACTION92
5.7647-6.59620.3661750.33123585X-RAY DIFFRACTION94
6.5962-8.30040.34411800.38173618X-RAY DIFFRACTION94
8.3004-42.53150.39812290.40883686X-RAY DIFFRACTION94
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)
14.5876-0.23930.50713.17550.17251.886-0.1043-1.83630.05321.70660.10240.56940.305-0.190.02281.3565-0.08950.58241.1544-0.42131.1209-33.6455-2.961312.2409
21.4390.3093-0.24930.0952-0.16180.51920.2780.47620.3616-0.20590.11660.1664-0.25810.0283-0.44591.04710.48790.27431.79710.44331.6531-61.450159.2797-96.3898
30.66950.00770.8254-00.00961.01710.23330.2039-0.52940.37220.2068-0.6420.42580.3037-0.47461.24560.4277-0.46161.9472-0.25331.6917-56.580838.7228-99.1393
42.00962.21281.3124.4347-0.07412.01360.21430.2228-0.1681-0.53640.3732-0.34790.11630.3513-0.57361.24440.52730.05311.9427-0.30211.683-50.503565.5274-100.3955
50.40750.4952-0.94321.1006-1.97314.01560.07750.6011-0.6316-1.0123-0.2651-0.10870.92481.06580.19052.56560.42340.41992.3031-0.55412.1744-51.704450.7191-111.2359
60.4307-1.16930.28183.3538-0.83650.28160.08970.5243-0.5974-0.4852-0.1456-0.34820.59950.96350.05272.12120.71110.76242.1975-0.54432.1066-47.630139.4107-98.9319
70.6981-0.53740.28242.6466-0.26471.07720.04490.6643-0.5044-1.1923-0.2956-0.49740.81931.04610.25252.75170.67150.78492.6153-0.76762.3704-44.39941.5276-112.7225
80.08840.1629-0.36270.5226-1.60065.85150.0621-0.7308-0.78820.68-0.1591-0.9071.33331.63840.11023.41861.70540.64293.24270.94212.1957-38.478954.6844-117.4085
92.4015-1.32181.09683.6085-0.61521.00210.52510.51770.162-0.7125-0.4228-0.42990.4358-0.4312-0.11111.8110.4456-0.57611.3870.07191.2208-51.899755.1141-87.2658
101.33720.03820.86732.563-0.29562.3972-0.83610.10150.5573-0.78010.68810.5829-0.67140.35350.12072.17870.3218-0.72371.6625-0.62071.8774-17.726251.4922-92.0828
112.4312-0.12651.26985.0569-0.54561.3445-0.7751-0.3718-0.0321-0.27941.25751.1233-0.5616-0.1661-0.47652.22160.6793-0.8741.6217-0.26852.0289-25.671642.8808-90.8085
120.10630.0279-0.26460.414-0.7091.66390.2440.8290.9893-0.821-0.20120.4987-0.9202-0.4684-0.04213.86321.2327-1.03523.16851.23173.8904-29.557345.2449-100.1806
130.227-0.0921-0.07150.2363-0.06541.590.1947-0.2151-0.01460.2524-0.2309-0.0714-0.9776-0.25530.04965.6588-0.4632.00015.66440.89673.0033-26.726653.8548-112.6313
142.1627-2.1361-2.1612.13872.15242.17041.29191.3290.2235-2.5503-1.46740.5204-0.6446-0.57840.17633.65541.6558-0.29443.2397-0.08622.0497-31.249339.1297-115.4269
151.9314-1.82820.51143.2235-0.0350.67310.6011.1586-0.2911-1.0482-0.74340.03890.09840.14940.13670.70020.1671-0.04271.21220.29241.3124-35.726250.4006-77.5351
162.329-2.1522-0.162.06730.3890.7458-0.04520.12390.3104-0.2389-0.2279-0.2435-0.2783-0.16450.18621.15510.5870.25951.20650.08151.0101-7.328957.7746-43.4304
170.24110.01410.3630.0098-0.04471.0246-0.3111-0.0924-0.1425-0.27690.1326-0.4783-0.26420.01340.15261.32080.14650.42831.46370.80871.7845-2.402265.7821-50.2046
180.85280.14721.15170.11480.23191.57180.10270.0423-0.0797-0.3362-0.1718-0.25010.12150.2150.10381.30940.24680.52831.05830.50461.5353-10.273547.8184-54.6206
190.2535-0.21650.11982.02990.41470.20160.804-0.34820.0780.198-0.3035-0.5215-0.79720.3563-0.47652.1628-0.62180.0291.60930.94032.77722.386265.6682-56.73
203.87910.96691.12313.68240.62740.67210.9074-0.87830.25410.7312-1.0287-0.8694-0.44180.86880.13052.2343-0.90080.2691.82010.77612.84198.013776.013-59.2208
213.75051.22955.3984.8077-0.18358.63532.90930.435-1.67650.5219-1.7996-0.54221.2381.6135-1.11022.1346-0.0633-0.42632.09921.06293.314613.918861.1387-65.5448
221.61681.33670.62361.22010.07712.65480.10670.41640.439-0.631-0.0091-0.9764-0.29830.6617-0.13640.8090.27070.35280.7750.1621.2608-16.801761.7523-53.5867
233.0821-3.14230.77994.3466-2.34624.38940.20381.06860.5088-1.6364-0.4589-0.40020.08870.26290.25071.767-0.25-0.09661.5760.27931.028-11.951359.9107-86.7492
244.8582-3.90732.32853.2812-1.38295.487-0.40750.41730.6844-1.0752-0.0224-1.0699-0.30190.09980.41861.5806-0.21490.07991.55570.29721.384-10.085370.2049-80.8951
254.793-4.5978-1.21336.3108-2.11167.0834-0.19660.94691.7554-0.6981-0.0793-1.4364-1.75720.1290.27731.9996-0.1755-0.15741.18730.59081.813-12.573381.1113-83.7962
262.0347-0.04960.84440.5411-0.02710.95040.38330.4020.1375-0.4843-0.3957-0.29230.8150.68470.0212.09940.31170.57040.90710.01611.2561-14.383980.5981-73.153
270.70030.0974-0.02680.2904-0.03890.25110.32310.277-0.1468-0.4204-0.4279-0.21541.08130.85450.10782.69590.85810.65111.67060.34711.4345.413564.7546-77.1307
280.18620.281-0.17832.2416-1.04491.74570.05170.03660.1703-0.1159-0.3473-0.6521-0.26060.21450.29241.47030.18-0.30951.1970.51561.075-23.648867.5994-68.9202
290.5943-0.5421-0.21481.0406-0.25330.4473-0.0396-0.17280.1174-0.3740.3474-0.2126-0.09740.2947-0.30521.4383-0.1372-0.26971.5504-0.44671.1881-61.72534.2088-27.32
300.9789-1.0239-0.2451.91741.15341.6731-0.16870.4332-0.666-0.3070.14810.0795-0.1771-0.0350.01830.9684-0.0592-0.04991.408-0.841.757-65.767111.3587-21.4029
310.74810.35020.11571.0040.72222.43960.02350.3152-0.430.1994-0.0930.17570.6259-0.19130.06660.9396-0.1010.03491.3133-0.78862.1316-57.4539-4.7257-12.7753
320.4369-0.26370.10980.1702-0.04420.07060.25930.4781-0.56710.1037-0.08380.9784-0.0381-0.48-0.20011.10260.31360.05321.6214-0.79382.7628-74.66487.975-13.8731
331.3972-1.0995-0.12661.80770.10831.13370.27260.4322-0.41060.0836-0.15040.676-0.1936-0.5263-0.07921.32760.64980.18811.4236-0.47792.1529-71.931124.8467-11.8377
341.1656-0.0313-0.7041.7588-0.14990.89270.17350.01070.16190.3583-0.29721.24740.3035-0.49960.22621.2041-0.0221-0.32571.2442-0.79232.1246-66.41998.2409-8.7366
350.1872-0.13450.14390.1413-0.1540.18620.2448-0.13120.3487-0.1517-0.24240.44220.0778-0.22480.03350.85620.136-0.41260.9978-0.49281.6203-50.09311.7483-23.9971
360.26890.47820.11840.97860.16080.07120.1073-0.2616-0.05260.1697-0.13950.39890.0901-0.12760.08171.81150.38110.52731.5176-0.58521.6214-57.6929.668715.5874
370.8568-0.64940.16540.53430.05170.743-0.4941-0.31660.34480.2320.03310.42490.4486-0.68160.4711.7118-0.33550.63531.2356-0.53711.836-64.02918.81087.0067
380.8772-0.8383-0.49420.91030.36830.6760.16350.1943-0.1858-0.1521-0.39090.7846-0.2304-0.61170.31541.07830.2379-0.00230.8208-0.5911.4114-51.727817.0363-0.2717
390.1670.15890.18960.78160.02130.4189-0.0459-0.03010.0009-0.3345-0.06510.2857-0.0652-0.2482-0.13020.7635-0.3941-0.11450.60860.03410.3271-33.5302-33.6559-8.5627
400.28140.1644-0.12180.7944-0.55880.80120.1141-0.194-0.10720.10060.08060.20780.0052-0.1828-0.06840.1914-0.22250.00220.34880.24910.1766-31.2665-25.8855-12.0864
410.0337-0.0057-0.00490.1874-0.05490.0320.0118-0.1383-0.14440.1297-0.1751-0.26140.01780.2049-0.16230.0429-0.09020.00920.15750.33350.401-15.905-30.1333-13.5394
420.36480.0049-0.09590.9293-0.00240.2975-0.118-0.0494-0.17950.2314-0.07050.30720.1552-0.09310.13870.417-0.36680.05330.31310.09330.1947-26.7284-21.8327-11.9944
430.16360.04090.04420.1366-0.03440.2082-0.0239-0.09710.00350.0333-0.0524-0.0958-0.05510.1005-0.2015-0.3174-0.0916-0.096-0.31930.2164-0.2112-6.3716-4.9685-11.2492
440.47350.1422-0.35740.2548-0.09530.5263-0.0631-0.0594-0.0992-0.056-0.0274-0.09910.10170.13040.23080.0608-0.14540.01770.16970.1115-0.0411-9.983-17.8205-26.087
450.91420.6118-0.15640.8834-0.20790.62380.2659-0.20070.33190.2694-0.10230.4271-0.1721-0.1601-0.21510.306-0.2951-0.02620.42630.19580.4303-21.8432-3.7178-1.5743
461.01810.7977-0.10133.2771-0.08691.050.0558-0.01750.25290.3010.00870.2774-0.2121-0.131-0.07841.0955-0.29930.21190.91510.4330.9831-30.5689-31.50748.7696
472.47030.03371.6360.02980.10291.30240.13840.6179-0.1242-0.6479-0.05940.57760.26150.0898-0.04861.5910.4399-0.5361.0131-0.30930.9517-33.526816.1334-54.6824
480.4690.13960.50090.04540.18650.85530.13850.4484-0.1778-0.3105-0.22170.20540.05770.12-0.02291.49760.5045-0.660.8911-0.23760.9628-38.452121.9442-62.1059
491.1561-0.43710.57210.61040.02051.8245-0.16130.21780.0432-0.25260.14440.0712-0.0377-0.00420.04221.29190.2223-0.68960.649-0.25851.0075-38.748129.1835-50.3589
500.0525-0.0401-0.12750.07430.18580.48620.28110.2365-0.3382-0.5919-0.33560.43960.0824-0.44120.01943.1360.3536-1.68031.3975-0.42062.7472-57.744821.7357-55.9928
511.6828-0.7350.51621.1433-0.85811.21930.18680.2279-0.1067-0.4213-0.17810.03070.39060.17920.05761.68280.2121-0.8920.7744-0.00171.4153-38.719733.3131-62.6299
521.3065-0.192-0.01610.66980.38320.24890.0402-0.128-0.17750.707-0.2908-0.6024-0.2631-0.09410.16831.48580.157-0.65340.6497-0.04731.4352-63.429954.0365-55.4092
535.5802-3.99261.50074.5698-3.31763.3426-0.0156-0.10310.00270.2670.1403-0.11860.23160.1015-0.11881.31520.1025-0.76630.62790.00671.3406-48.742150.4915-46.3684
540.87120.04910.70680.15150.06370.5750.13160.0525-0.1784-0.0978-0.08010.08110.1237-0.1024-0.09971.33940.1954-0.85080.8375-0.211.3686-64.70447.6016-66.1374
550.4737-0.0050.45370.12890.2350.88430.214-0.0889-0.3355-0.0037-0.0020.11910.4032-0.4048-0.14981.82-0.1124-1.00390.9871-0.15121.6872-61.037536.5643-51.0741
560.7569-0.697-0.12580.71840.28860.46690.33960.173-0.0929-0.16770.0311-0.05680.40760.2154-0.21761.54320.6798-0.66131.0861-0.47641.198-47.386148.3282-68.1596
571.51430.6108-0.7162.5108-3.63025.3153-0.51770.48270.0859-1.13820.2720.15-0.36970.07860.24352.10580.045-0.18182.2213-0.33380.6573-38.112120.8993-78.5702
580.3232-0.0256-0.07310.7414-0.54110.45580.06350.28490.29540.12560.01420.2074-0.2015-0.0265-0.06760.8455-0.1683-0.06670.83230.56581.3898-38.84297.4834-65.5319
591.943-1.10930.35161.1831-1.04921.37080.1310.36980.0737-0.61550.05010.446-0.1793-0.3199-0.25451.18840.1085-0.15230.49080.33741.0525-51.723287.2807-72.3177
600.17010.05040.29740.56790.06390.5711-0.00610.08240.0420.03590.1082-0.008-0.006-0.08750.04331.0103-0.0867-0.59730.53190.20520.9727-47.740493.7375-56.3557
610.4976-0.19430.09041.080.061.12910.01680.0509-0.035-0.3209-0.02090.2462-0.0205-0.1299-0.09920.8126-0.1866-0.31620.43610.30160.5029-48.490290.0086-55.1501
621.59620.3972-1.73812.3319-1.72642.66530.0343-0.0649-0.18180.06380.0121-0.3589-0.07610.1972-0.0741.1068-0.2555-0.31890.613-0.01911.4976-31.991686.3324-72.1319
630.35690.21930.24750.94030.27360.946-0.03230.12020.2044-0.21630.0760.6109-0.1055-0.33090.04710.2484-0.0258-0.14740.18920.04430.3202-44.936162.2835-40.1428
640.708-0.16850.15181.6659-0.08591.348-0.15580.09150.0267-0.2834-0.15690.47190.0479-0.42590.07670.1433-0.0472-0.01660.3637-0.0330.2417-45.415872.4649-43.0205
652.18750.04790.30890.5074-0.35420.380.0155-0.27150.17780.11580.0301-0.02230.1086-0.1149-0.05240.4476-0.0049-0.37640.32690.05890.9512-60.231382.7915-46.093
660.61360.6444-0.2030.8252-0.4760.5467-0.00130.0182-0.2304-0.16580.0274-0.18020.1540.02640.22480.5553-0.3681-0.23790.55880.36160.5292-35.303868.3685-57.0938
670.20830.035-0.16670.0582-0.02660.1334-0.1917-0.1101-0.18040.16030.1557-0.2347-0.14130.22140.03031.430.1055-1.00063.1930.10462.5818-25.952196.5886-65.1931
681.1472-0.19150.39760.6563-0.09060.69130.144-0.27140.07020.2118-0.03110.3520.0625-0.30590.0470.41370.0255-0.36270.2784-0.14440.8162-22.758340.1101-1.9694
690.5943-0.40050.33141.05710.02670.73280.1237-0.0015-0.22990.25680.0428-0.0844-0.132-0.2108-0.04380.5980.316-0.30540.3785-0.29260.5625-23.756338.1746-12.9405
700.2768-0.002-0.00890.29280.08410.10570.05840.13760.0679-0.1594-0.1266-0.1218-0.04150.007-0.01140.02950.1549-0.1244-0.12490.0684-0.0553-21.014313.8166-27.8225
710.343-0.0380.36560.20020.07670.56370.02570.2104-0.0501-0.0146-0.04170.0152-0.0216-0.0434-0.05730.1720.196-0.10520.4753-0.26530.2659-26.896523.797-28.7582
720.4136-0.22530.26490.3524-0.32370.3042-0.06410.16520.1251-0.102-0.036-0.0115-0.13590.08330.08630.49890.1105-0.22050.368-0.20920.4515-8.251530.3085-24.292
730.4433-0.3042-0.19130.62620.26420.5475-0.1549-0.044-0.21610.2439-0.01190.27620.1664-0.15480.22340.26110.23230.01870.3032-0.2520.2781-33.127215.8242-13.3125
743.0138-0.49540.3680.8053-0.17130.4476-0.00350.03930.0735-0.01560.01780.2956-0.0217-0.1322-0.03340.45130.2082-0.09881.503-0.31221.0262-43.051645.2357-5.5881
750.21920.1254-0.27391.4344-0.98920.8620.3881-0.7370.14271.1165-0.4865-0.30560.4737-0.28180.0721.8479-0.86610.14641.9383-0.32171.6565-11.42713.419929.2119
760.75580.6368-0.62313.78370.45880.9050.6705-0.2833-0.98870.7603-0.395-0.23640.8458-0.2348-0.24072.9008-0.9837-0.68212.2678-0.82112.9068-21.51685.37431.9482
770.2012-0.0622-0.68921.10731.08963.06530.6369-0.4002-1.01021.6617-0.5822-0.67951.4819-0.8368-0.06265.4625-2.1988-1.58193.29990.863.0155-25.9159-7.165546.1569
781.6417-1.10781.82674.85851.7714.22690.8829-1.4154-0.79521.9817-0.88640.5320.9585-0.9239-0.01981.7916-0.4122-0.2111.6599-0.23170.9447-19.5582.527521.7435
791.4685-1.3796-0.68185.22181.39883.06930.3864-0.19410.27561.90720.03310.0192-0.01320.1129-0.41362.3906-0.963-0.47111.75180.42242.1616-50.8472-3.548919.338
800.545-0.33620.68332.36531.63583.07670.4766-0.17880.32962.3143-0.0735-0.478-0.07490.5165-0.43623.0223-1.0356-0.56961.58730.09132.3317-45.4746-5.578724.1628
813.23262.4869-1.1835.7217-4.20464.610.6905-1.35341.33962.4041-0.1018-0.09650.54171.0666-0.56892.5020.0747-0.91711.836-0.74032.3813-36.7252-16.563523.4568
822.13381.12510.15571.30511.04141.92611.7663-1.19871.82474.7723-0.58491.4453-1.53740.2032-1.18344.2874-0.17810.17162.4559-1.46193.9601-42.73741.635333.6269
830.6668-0.0218-0.00060.26370.27690.2914-0.7158-0.39750.93-0.61360.1803-0.0292-1.2893-0.08820.53278.7431-1.5132-0.15874.5615-1.4963.5631-41.1134-3.533444.683
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'N' and (resid 324 through 365 )
2X-RAY DIFFRACTION2chain 'P' and (resid 168 through 194 )
3X-RAY DIFFRACTION3chain 'P' and (resid 195 through 214 )
4X-RAY DIFFRACTION4chain 'P' and (resid 215 through 273 )
5X-RAY DIFFRACTION5chain 'P' and (resid 274 through 283 )
6X-RAY DIFFRACTION6chain 'P' and (resid 284 through 295 )
7X-RAY DIFFRACTION7chain 'P' and (resid 296 through 315 )
8X-RAY DIFFRACTION8chain 'P' and (resid 316 through 331 )
9X-RAY DIFFRACTION9chain 'P' and (resid 332 through 367 )
10X-RAY DIFFRACTION10chain 'Q' and (resid 171 through 203 )
11X-RAY DIFFRACTION11chain 'Q' and (resid 204 through 252 )
12X-RAY DIFFRACTION12chain 'Q' and (resid 253 through 295 )
13X-RAY DIFFRACTION13chain 'Q' and (resid 296 through 316 )
14X-RAY DIFFRACTION14chain 'Q' and (resid 317 through 328 )
15X-RAY DIFFRACTION15chain 'Q' and (resid 329 through 366 )
16X-RAY DIFFRACTION16chain 'S' and (resid 168 through 194 )
17X-RAY DIFFRACTION17chain 'S' and (resid 195 through 236 )
18X-RAY DIFFRACTION18chain 'S' and (resid 237 through 262 )
19X-RAY DIFFRACTION19chain 'S' and (resid 263 through 295 )
20X-RAY DIFFRACTION20chain 'S' and (resid 296 through 314 )
21X-RAY DIFFRACTION21chain 'S' and (resid 315 through 331 )
22X-RAY DIFFRACTION22chain 'S' and (resid 332 through 368 )
23X-RAY DIFFRACTION23chain 'T' and (resid 175 through 214 )
24X-RAY DIFFRACTION24chain 'T' and (resid 215 through 226 )
25X-RAY DIFFRACTION25chain 'T' and (resid 227 through 240 )
26X-RAY DIFFRACTION26chain 'T' and (resid 241 through 270 )
27X-RAY DIFFRACTION27chain 'T' and (resid 271 through 324 )
28X-RAY DIFFRACTION28chain 'T' and (resid 325 through 366 )
29X-RAY DIFFRACTION29chain 'V' and (resid 166 through 194 )
30X-RAY DIFFRACTION30chain 'V' and (resid 195 through 242 )
31X-RAY DIFFRACTION31chain 'V' and (resid 243 through 262 )
32X-RAY DIFFRACTION32chain 'V' and (resid 263 through 285 )
33X-RAY DIFFRACTION33chain 'V' and (resid 286 through 314 )
34X-RAY DIFFRACTION34chain 'V' and (resid 315 through 352 )
35X-RAY DIFFRACTION35chain 'V' and (resid 353 through 367 )
36X-RAY DIFFRACTION36chain 'W' and (resid 175 through 226 )
37X-RAY DIFFRACTION37chain 'W' and (resid 227 through 316 )
38X-RAY DIFFRACTION38chain 'W' and (resid 317 through 366 )
39X-RAY DIFFRACTION39chain 'A' and (resid 142 through 194 )
40X-RAY DIFFRACTION40chain 'A' and (resid 195 through 262 )
41X-RAY DIFFRACTION41chain 'A' and (resid 263 through 313 )
42X-RAY DIFFRACTION42chain 'A' and (resid 314 through 367 )
43X-RAY DIFFRACTION43chain 'B' and (resid 162 through 285 )
44X-RAY DIFFRACTION44chain 'B' and (resid 286 through 323 )
45X-RAY DIFFRACTION45chain 'B' and (resid 324 through 366 )
46X-RAY DIFFRACTION46chain 'C' and (resid 352 through 358 )
47X-RAY DIFFRACTION47chain 'D' and (resid 142 through 174 )
48X-RAY DIFFRACTION48chain 'D' and (resid 175 through 243 )
49X-RAY DIFFRACTION49chain 'D' and (resid 244 through 283 )
50X-RAY DIFFRACTION50chain 'D' and (resid 284 through 323 )
51X-RAY DIFFRACTION51chain 'D' and (resid 324 through 367 )
52X-RAY DIFFRACTION52chain 'E' and (resid 162 through 203 )
53X-RAY DIFFRACTION53chain 'E' and (resid 204 through 214 )
54X-RAY DIFFRACTION54chain 'E' and (resid 215 through 252 )
55X-RAY DIFFRACTION55chain 'E' and (resid 253 through 323 )
56X-RAY DIFFRACTION56chain 'E' and (resid 324 through 365 )
57X-RAY DIFFRACTION57chain 'F' and (resid 352 through 358 )
58X-RAY DIFFRACTION58chain 'G' and (resid 145 through 214 )
59X-RAY DIFFRACTION59chain 'G' and (resid 215 through 262 )
60X-RAY DIFFRACTION60chain 'G' and (resid 263 through 295 )
61X-RAY DIFFRACTION61chain 'G' and (resid 296 through 352 )
62X-RAY DIFFRACTION62chain 'G' and (resid 353 through 367 )
63X-RAY DIFFRACTION63chain 'H' and (resid 165 through 195 )
64X-RAY DIFFRACTION64chain 'H' and (resid 196 through 285 )
65X-RAY DIFFRACTION65chain 'H' and (resid 286 through 323 )
66X-RAY DIFFRACTION66chain 'H' and (resid 324 through 366 )
67X-RAY DIFFRACTION67chain 'I' and (resid 352 through 358 )
68X-RAY DIFFRACTION68chain 'J' and (resid 145 through 270 )
69X-RAY DIFFRACTION69chain 'J' and (resid 271 through 367 )
70X-RAY DIFFRACTION70chain 'K' and (resid 165 through 243 )
71X-RAY DIFFRACTION71chain 'K' and (resid 244 through 285 )
72X-RAY DIFFRACTION72chain 'K' and (resid 286 through 323 )
73X-RAY DIFFRACTION73chain 'K' and (resid 324 through 366 )
74X-RAY DIFFRACTION74chain 'L' and (resid 352 through 359 )
75X-RAY DIFFRACTION75chain 'M' and (resid 167 through 243 )
76X-RAY DIFFRACTION76chain 'M' and (resid 244 through 295 )
77X-RAY DIFFRACTION77chain 'M' and (resid 296 through 323 )
78X-RAY DIFFRACTION78chain 'M' and (resid 324 through 367 )
79X-RAY DIFFRACTION79chain 'N' and (resid 173 through 195 )
80X-RAY DIFFRACTION80chain 'N' and (resid 196 through 246 )
81X-RAY DIFFRACTION81chain 'N' and (resid 247 through 273 )
82X-RAY DIFFRACTION82chain 'N' and (resid 274 through 295 )
83X-RAY DIFFRACTION83chain 'N' and (resid 296 through 323 )

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