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- PDB-8czg: Human BAK in complex with the dF3 peptide -

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Basic information

Entry
Database: PDB / ID: 8czg
TitleHuman BAK in complex with the dF3 peptide
Components
  • Bcl-2 homologous antagonist/killer
  • dF3 peptide
KeywordsAPOPTOSIS / BAK / inhibitor / Bcl-2 family
Function / homology
Function and homology information


Activation and oligomerization of BAK protein / BH domain binding / B cell negative selection / BAK complex / negative regulation of endoplasmic reticulum calcium ion concentration / response to fungus / response to mycotoxin / limb morphogenesis / Release of apoptotic factors from the mitochondria / apoptotic process involved in blood vessel morphogenesis ...Activation and oligomerization of BAK protein / BH domain binding / B cell negative selection / BAK complex / negative regulation of endoplasmic reticulum calcium ion concentration / response to fungus / response to mycotoxin / limb morphogenesis / Release of apoptotic factors from the mitochondria / apoptotic process involved in blood vessel morphogenesis / post-embryonic camera-type eye morphogenesis / endocrine pancreas development / establishment or maintenance of transmembrane electrochemical gradient / B cell apoptotic process / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / positive regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / endoplasmic reticulum calcium ion homeostasis / regulation of mitochondrial membrane permeability / calcium ion transport into cytosol / fibroblast apoptotic process / response to UV-C / mitochondrial fusion / Bcl-2 family protein complex / myeloid cell homeostasis / porin activity / thymocyte apoptotic process / negative regulation of release of cytochrome c from mitochondria / pore complex / positive regulation of IRE1-mediated unfolded protein response / positive regulation of release of cytochrome c from mitochondria / vagina development / B cell homeostasis / positive regulation of calcium ion transport into cytosol / positive regulation of proteolysis / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / blood vessel remodeling / animal organ regeneration / cellular response to unfolded protein / Pyroptosis / heat shock protein binding / extrinsic apoptotic signaling pathway in absence of ligand / intrinsic apoptotic signaling pathway / release of cytochrome c from mitochondria / epithelial cell proliferation / response to gamma radiation / regulation of mitochondrial membrane potential / apoptotic signaling pathway / positive regulation of protein-containing complex assembly / establishment of localization in cell / response to hydrogen peroxide / cellular response to mechanical stimulus / intrinsic apoptotic signaling pathway in response to DNA damage / cellular response to UV / protein-folding chaperone binding / channel activity / response to ethanol / transmembrane transporter binding / mitochondrial outer membrane / regulation of cell cycle / positive regulation of apoptotic process / response to xenobiotic stimulus / protein heterodimerization activity / negative regulation of cell population proliferation / negative regulation of gene expression / apoptotic process / protein-containing complex binding / endoplasmic reticulum / protein homodimerization activity / mitochondrion / metal ion binding / identical protein binding / cytosol
Similarity search - Function
Blc2-like / Apoptosis Regulator Bcl-x / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / Bcl-2 family / BCL (B-Cell lymphoma); contains BH1, BH2 regions ...Blc2-like / Apoptosis Regulator Bcl-x / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / Bcl-2 family / BCL (B-Cell lymphoma); contains BH1, BH2 regions / Bcl2-like / Bcl-2, Bcl-2 homology region 1-3 / Apoptosis regulator proteins, Bcl-2 family / BCL2-like apoptosis inhibitors family profile. / Bcl-2-like superfamily / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Bcl-2 homologous antagonist/killer
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.99 Å
AuthorsAguilar, F. / Keating, A.E.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01GM110048 United States
CitationJournal: Structure / Year: 2023
Title: Peptides from human BNIP5 and PXT1 and non-native binders of pro-apoptotic BAK can directly activate or inhibit BAK-mediated membrane permeabilization.
Authors: Aguilar, F. / Yu, S. / Grant, R.A. / Swanson, S. / Ghose, D. / Su, B.G. / Sarosiek, K.A. / Keating, A.E.
History
DepositionMay 24, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 11, 2023Provider: repository / Type: Initial release
Revision 1.1Feb 8, 2023Group: Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Mar 15, 2023Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.4Nov 20, 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

Downloads & links

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Assembly

Deposited unit
A: Bcl-2 homologous antagonist/killer
B: Bcl-2 homologous antagonist/killer
C: Bcl-2 homologous antagonist/killer
D: Bcl-2 homologous antagonist/killer
E: dF3 peptide
F: dF3 peptide
G: dF3 peptide
H: dF3 peptide


Theoretical massNumber of molelcules
Total (without water)87,2468
Polymers87,2468
Non-polymers00
Water6,125340
1
A: Bcl-2 homologous antagonist/killer
E: dF3 peptide


Theoretical massNumber of molelcules
Total (without water)21,8122
Polymers21,8122
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2230 Å2
ΔGint-21 kcal/mol
Surface area9020 Å2
MethodPISA
2
B: Bcl-2 homologous antagonist/killer
F: dF3 peptide


Theoretical massNumber of molelcules
Total (without water)21,8122
Polymers21,8122
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2290 Å2
ΔGint-20 kcal/mol
Surface area9030 Å2
MethodPISA
3
C: Bcl-2 homologous antagonist/killer
G: dF3 peptide


Theoretical massNumber of molelcules
Total (without water)21,8122
Polymers21,8122
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2370 Å2
ΔGint-20 kcal/mol
Surface area9190 Å2
MethodPISA
4
D: Bcl-2 homologous antagonist/killer
H: dF3 peptide


Theoretical massNumber of molelcules
Total (without water)21,8122
Polymers21,8122
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2370 Å2
ΔGint-20 kcal/mol
Surface area9250 Å2
MethodPISA
Unit cell
Length a, b, c (Å)48.290, 65.260, 111.570
Angle α, β, γ (deg.)90.000, 102.120, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 23 through 76 or (resid 77...
21(chain B and (resid 23 through 76 or (resid 77...
31(chain C and (resid 23 through 47 or resid 55...
41(chain D and (resid 23 through 47 or resid 55...
12(chain E and (resid 1 or resid 3 through 21))
22(chain F and ((resid 1 and (name CA or name C or name O )) or resid 3 through 21))
32(chain G and ((resid 1 and (name CA or name...
42(chain H and ((resid 1 and (name CA or name...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 23 through 76 or (resid 77...A23 - 76
121(chain A and (resid 23 through 76 or (resid 77...A77
131(chain A and (resid 23 through 76 or (resid 77...A21 - 184
141(chain A and (resid 23 through 76 or (resid 77...A21 - 184
151(chain A and (resid 23 through 76 or (resid 77...A21 - 184
161(chain A and (resid 23 through 76 or (resid 77...A21 - 184
211(chain B and (resid 23 through 76 or (resid 77...B23 - 76
221(chain B and (resid 23 through 76 or (resid 77...B77
231(chain B and (resid 23 through 76 or (resid 77...B22 - 183
241(chain B and (resid 23 through 76 or (resid 77...B22 - 183
251(chain B and (resid 23 through 76 or (resid 77...B22 - 183
261(chain B and (resid 23 through 76 or (resid 77...B22 - 183
311(chain C and (resid 23 through 47 or resid 55...C23 - 47
321(chain C and (resid 23 through 47 or resid 55...C55 - 76
331(chain C and (resid 23 through 47 or resid 55...C77
341(chain C and (resid 23 through 47 or resid 55...C23 - 184
351(chain C and (resid 23 through 47 or resid 55...C23 - 184
361(chain C and (resid 23 through 47 or resid 55...C23 - 184
371(chain C and (resid 23 through 47 or resid 55...C23 - 184
411(chain D and (resid 23 through 47 or resid 55...D23 - 47
421(chain D and (resid 23 through 47 or resid 55...D55 - 84
431(chain D and (resid 23 through 47 or resid 55...D85
441(chain D and (resid 23 through 47 or resid 55...D22 - 185
451(chain D and (resid 23 through 47 or resid 55...D22 - 185
461(chain D and (resid 23 through 47 or resid 55...D22 - 185
471(chain D and (resid 23 through 47 or resid 55...D22 - 185
112(chain E and (resid 1 or resid 3 through 21))E0
212(chain F and ((resid 1 and (name CA or name C or name O )) or resid 3 through 21))F1
222(chain F and ((resid 1 and (name CA or name C or name O )) or resid 3 through 21))F1 - 22
232(chain F and ((resid 1 and (name CA or name C or name O )) or resid 3 through 21))F1 - 22
312(chain G and ((resid 1 and (name CA or name...G1
322(chain G and ((resid 1 and (name CA or name...G0 - 22
332(chain G and ((resid 1 and (name CA or name...G0 - 22
412(chain H and ((resid 1 and (name CA or name...H1
422(chain H and ((resid 1 and (name CA or name...H0 - 21
432(chain H and ((resid 1 and (name CA or name...H0 - 21

NCS ensembles :
ID
1
2

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Components

#1: Protein
Bcl-2 homologous antagonist/killer / Apoptosis regulator BAK / Bcl-2-like protein 7 / Bcl2-L-7


Mass: 19037.320 Da / Num. of mol.: 4 / Mutation: C166S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BAK1, BAK, BCL2L7, CDN1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q16611
#2: Protein/peptide
dF3 peptide


Mass: 2774.216 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 340 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY
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: 1.97 Å3/Da / Density % sol: 37.57 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / Details: PEG 3350 (20% w/v), 0.2 M calcium acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 23, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 1.99→41.85 Å / Num. obs: 43206 / % possible obs: 92.3 % / Redundancy: 3.704 % / Biso Wilson estimate: 22.25 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.149 / Rrim(I) all: 0.17 / Χ2: 0.87 / Net I/σ(I): 6 / Num. measured all: 160024 / Scaling rejects: 96
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
1.99-2.043.3270.7151.779462343628440.7950.82582.8
2.04-2.13.7290.6062.3911943336232030.8590.69495.3
2.1-2.163.7180.522.7411523324830990.9220.59595.4
2.16-2.223.6120.4483.1210865316230080.9070.51495.1
2.22-2.33.3680.3953.319823309329170.9320.45794.3
2.3-2.383.6310.3633.710378298328580.9430.41595.8
2.38-2.473.8230.2954.5110357285027090.9570.33595.1
2.47-2.573.7910.2634.919932277426200.9670.29894.4
2.57-2.683.7390.2225.419468268825320.9750.25394.2
2.68-2.813.7640.1856.488835251223470.9790.2193.4
2.81-2.963.4950.1666.897767241222220.9770.19292.1
2.96-3.143.7390.1447.817931229221210.9870.16492.5
3.14-3.363.9420.1199.37912216120070.9910.13492.9
3.36-3.633.9160.09710.747213201218420.9940.1191.6
3.63-3.983.810.08511.56347184616660.9950.09690.2
3.98-4.453.5110.07711.655196169414800.9940.0987.4
4.45-5.144.0680.07812.585374147613210.9950.08989.5
5.14-6.294.0770.07812.034538127211130.9940.08987.5
6.29-8.893.8240.06712.3431599868260.9980.07783.8
8.89-41.854.2480.04416.2320015724710.9990.04982.3

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
PDB_EXTRACT3.27data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB:5VX0

5vx0


Resolution: 1.99→41.85 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 30.51 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2673 1988 4.62 %
Rwork0.228 41061 -
obs0.2299 43049 92 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 106.19 Å2 / Biso mean: 32.6415 Å2 / Biso min: 14.12 Å2
Refinement stepCycle: final / Resolution: 1.99→41.85 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5780 0 0 340 6120
Biso mean---27.69 -
Num. residues----721
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A2946X-RAY DIFFRACTION10.765TORSIONAL
12B2946X-RAY DIFFRACTION10.765TORSIONAL
13C2946X-RAY DIFFRACTION10.765TORSIONAL
14D2946X-RAY DIFFRACTION10.765TORSIONAL
21E388X-RAY DIFFRACTION10.765TORSIONAL
22F388X-RAY DIFFRACTION10.765TORSIONAL
23G388X-RAY DIFFRACTION10.765TORSIONAL
24H388X-RAY DIFFRACTION10.765TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.99-2.040.38581190.33232587270682
2.04-2.090.29631440.27673016316095
2.09-2.160.28731550.26173009316495
2.16-2.220.30161410.26032987312895
2.22-2.30.30271470.24852989313694
2.3-2.40.32021520.25763061321396
2.4-2.510.3071390.24432982312195
2.51-2.640.28031450.23222996314194
2.64-2.80.2631480.23362969311793
2.8-3.020.23431420.23392929307191
3.02-3.320.31511430.22122948309193
3.32-3.80.2351400.19262940308092
3.8-4.790.20941330.18032861299489
4.79-41.850.2381400.22722787292785
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)
11.3762-1.0967-0.24644.59831.83642.7265-0.252-0.06280.00660.270.15520.15310.2048-0.27490.12260.1889-0.00390.02290.4128-0.00220.2254-22.95891.0175-1.8611
28.20182.60161.64486.1418-0.15110.4104-0.26170.0264-0.3434-0.44470.49540.0596-0.04330.3042-0.2380.2862-0.06840.03690.38560.00340.189-14.0578-10.8898-9.4498
34.7671-3.4529-2.45664.60731.15874.8319-0.04870.04860.1325-0.0119-0.01910.0365-0.0091-0.08910.0690.2399-0.0455-0.02450.34790.05420.244-21.5993-6.70723.1929
43.3050.5676-3.07111.3621-0.70636.252-0.29560.1717-0.517-0.29610.03070.20330.6032-0.47770.21290.25010.0012-0.03920.4074-0.03760.3269-23.3085-1.2481-16.068
56.0067-1.41241.93676.49390.01332.0043-0.05860.64320.04070.12010.4177-0.79860.05331.4716-0.21010.2552-0.03360.00270.57560.03160.3063-3.36225.0633-14.8017
64.3469-1.5882.66412.93620.43626.4492-0.30940.23770.34050.00610.1718-0.374-0.71640.21630.18520.256-0.0048-0.01810.20170.04770.2149-12.581512.7172-13.5698
77.4711-0.46055.77852.92140.11454.6909-0.13750.3060.1954-0.78880.1319-0.1739-0.46790.30090.10510.33710.12880.0380.4514-0.00180.1884-25.457316.9003-13.5572
84.7623-1.71671.25111.5277-0.34831.6713-0.0127-0.12110.17060.05120.0885-0.1049-0.1027-0.1724-0.06390.17790.02040.03880.31520.01250.193-15.23343.8753-9.0637
94.76073.1409-2.90175.8925-0.94328.23610.34040.10890.715-0.22110.03980.2562-0.7398-0.2274-0.33250.25690.11480.01270.3748-0.01240.2288-26.462916.3096-3.2316
105.23013.21070.81995.14230.95144.0623-0.33260.5606-0.2179-0.15320.35360.0247-0.2541-0.1716-0.05270.17430.02730.01810.5856-0.01090.1956-33.97826.4706-3.1298
111.7816-0.05382.0941.66650.83182.89630.24530.2559-0.1742-0.0420.0903-0.10940.41610.4416-0.14990.26550.0815-0.03840.1922-0.02390.262-16.350928.9257-51.3725
122.0127-0.92721.47072.3792-1.03082.4233-0.23070.0695-0.43710.0810.1142-0.41971.24031.57380.07770.34350.136-0.02630.4364-0.05930.3546-7.033528.4861-48.9658
133.93620.66530.40741.25840.313.81560.0377-0.22030.02610.0752-0.0919-0.032-0.07140.04430.0510.206-0.0175-0.00010.12110.00340.1827-18.077538.6943-43.0154
141.6077-0.4794-0.01812.98380.98941.8785-0.0356-0.161-0.05610.08090.08970.08720.0886-0.2345-0.00160.2064-0.00680.02540.30310.03070.22952.447629.9734-7.6063
150.3896-0.1680.03561.45620.16021.35620.205-0.4003-0.1162-0.2566-0.0010.18110.1203-0.25050.04720.1938-0.03840.00960.31260.03840.22784.944525.6838-1.4762
162.37630.29780.8273.20422.3685.76860.1093-0.32250.16140.1057-0.09750.43270.297-1.25660.03190.2161-0.05330.00450.40880.02770.2368-5.913231.9159-7.2895
176.22530.3025-1.96292.7741-0.08796.2340.0749-0.3241-0.7419-0.2714-0.2387-0.03030.455-0.2180.08420.269-0.021-0.03650.35990.00550.22974.91229.0413-24.6235
181.6055-0.3212-0.10724.8710.51223.79030.10270.14950.187-0.0178-0.2701-0.3495-0.22490.86320.04780.2248-0.08560.01960.49720.03970.178716.408839.5475-18.0492
192.5009-1.33210.95381.97320.33111.8492-0.0188-0.01160.0736-0.0629-0.0532-0.0987-0.16690.22120.06590.2066-0.05040.02620.27380.01240.23478.874136.7924-12.9464
202.39822.9687-0.16467.4442-0.73616.88150.0048-0.30320.6908-0.3271-0.33840.1922-0.5858-0.45120.30140.2170.046-0.01380.292-0.0380.3218-4.237145.6838-7.6369
212.559-0.5152-0.02222.64220.56433.2250.09190.2357-0.0761-0.2524-0.01090.19740.17620.3834-0.09890.2032-0.04710.00670.18180.01460.23149.46842.226-49.7021
229.1988-3.51162.3314.2979-1.60296.5610.2129-0.6065-0.5339-0.1240.233-0.02110.95430.4127-0.35740.42660.0381-0.07520.20360.01790.35297.6568-13.2329-43.0247
231.9760.20981.68320.62611.00486.54990.0410.2768-0.1603-0.0345-0.1256-0.29130.40211.05690.03860.21760.06670.01110.33680.02790.277214.668-1.6003-51.1813
247.648-0.6699-1.27343.1667-0.2998.4797-0.2828-0.1956-0.26730.53520.2695-0.23740.5467-0.02670.02020.39490.0155-0.05910.25050.05540.32037.1676-4.0044-30.1685
254.93840.9990.55716.00871.31566.37730.224-0.51030.26690.0683-0.22180.41-0.5365-1.2713-0.06380.28680.09340.02420.34530.01350.2027-5.0495.8271-36.469
262.86320.98131.04571.7823-0.44642.47790.0758-0.14050.11140.1123-0.0547-0.0112-0.0674-0.2746-0.00990.2352-0.028-0.00060.1277-0.00390.1982.76913.7923-41.5962
270.99041.1605-0.35012.0371-0.47330.2429-0.0066-0.06040.5562-0.04860.0459-0.3438-0.35310.1236-0.16650.6304-0.2323-0.11850.02750.00190.414510.997317.7186-45.6536
284.57620.62791.00075.5571.2736.78160.15720.1216-0.17650.2461-0.0986-1.17030.19931.52640.38870.3248-0.02890.04710.50450.14490.42820.46437.8885-46.9663
294.55461.2327-0.32374.73580.15772.87110.13540.8680.1004-0.1890.05260.2574-0.186-0.9795-0.08080.27680.0707-0.04250.53480.01920.2175-24.89188.6316-20.3066
302.3913-2.7906-0.9495.0216-0.20725.2268-0.0436-0.3598-0.07760.2279-0.2147-0.158-0.0480.49840.25680.2891-0.102-0.04560.3240.01310.2512-12.064640.9035-34.1211
317.261-0.3595-0.10584.58640.84244.7408-0.09120.72410.4909-0.3767-0.03260.1201-0.2039-0.52780.11620.2727-0.0058-0.02420.37380.0090.19130.459639.2686-24.1635
328.0727-0.8663-0.71413.9432-0.35423.9880.0428-1.62290.11070.5905-0.1326-0.1499-0.06560.36710.07970.3218-0.0944-0.03880.31810.02680.24410.13716.3524-30.0338
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 21 through 46 )A21 - 46
2X-RAY DIFFRACTION2chain 'A' and (resid 47 through 61 )A47 - 61
3X-RAY DIFFRACTION3chain 'A' and (resid 62 through 69 )A62 - 69
4X-RAY DIFFRACTION4chain 'A' and (resid 70 through 100 )A70 - 100
5X-RAY DIFFRACTION5chain 'A' and (resid 101 through 106 )A101 - 106
6X-RAY DIFFRACTION6chain 'A' and (resid 107 through 118 )A107 - 118
7X-RAY DIFFRACTION7chain 'A' and (resid 119 through 124 )A119 - 124
8X-RAY DIFFRACTION8chain 'A' and (resid 125 through 164 )A125 - 164
9X-RAY DIFFRACTION9chain 'A' and (resid 165 through 173 )A165 - 173
10X-RAY DIFFRACTION10chain 'A' and (resid 174 through 184 )A174 - 184
11X-RAY DIFFRACTION11chain 'B' and (resid 22 through 69 )B22 - 69
12X-RAY DIFFRACTION12chain 'B' and (resid 70 through 82 )B70 - 82
13X-RAY DIFFRACTION13chain 'B' and (resid 83 through 183 )B83 - 183
14X-RAY DIFFRACTION14chain 'C' and (resid 23 through 57 )C23 - 57
15X-RAY DIFFRACTION15chain 'C' and (resid 58 through 69 )C58 - 69
16X-RAY DIFFRACTION16chain 'C' and (resid 70 through 82 )C70 - 82
17X-RAY DIFFRACTION17chain 'C' and (resid 83 through 100 )C83 - 100
18X-RAY DIFFRACTION18chain 'C' and (resid 101 through 118 )C101 - 118
19X-RAY DIFFRACTION19chain 'C' and (resid 119 through 164 )C119 - 164
20X-RAY DIFFRACTION20chain 'C' and (resid 165 through 184 )C165 - 184
21X-RAY DIFFRACTION21chain 'D' and (resid 22 through 46 )D22 - 46
22X-RAY DIFFRACTION22chain 'D' and (resid 47 through 61 )D47 - 61
23X-RAY DIFFRACTION23chain 'D' and (resid 62 through 82 )D62 - 82
24X-RAY DIFFRACTION24chain 'D' and (resid 83 through 100 )D83 - 100
25X-RAY DIFFRACTION25chain 'D' and (resid 101 through 118 )D101 - 118
26X-RAY DIFFRACTION26chain 'D' and (resid 119 through 164 )D119 - 164
27X-RAY DIFFRACTION27chain 'D' and (resid 165 through 174 )D165 - 174
28X-RAY DIFFRACTION28chain 'D' and (resid 175 through 185 )D175 - 185
29X-RAY DIFFRACTION29chain 'E' and (resid 1 through 22 )E1 - 22
30X-RAY DIFFRACTION30chain 'F' and (resid 1 through 22 )F1 - 22
31X-RAY DIFFRACTION31chain 'G' and (resid 1 through 22 )G1 - 22
32X-RAY DIFFRACTION32chain 'H' and (resid 1 through 21 )H1 - 21

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