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- PDB-8uky: Crystal structure of BAK in complex with inhibiting antibody 14G6 -

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Basic information

Entry
Database: PDB / ID: 8uky
TitleCrystal structure of BAK in complex with inhibiting antibody 14G6
Components
  • 14G6 Fab heavy chain
  • 14G6 Fab light chain
  • Bcl-2 homologous antagonist/killer
KeywordsAPOPTOSIS/INHIBITOR / BAK / APOPTOSIS-INHIBITOR complex / BCL2 / antibody
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
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, 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
Similarity search - Domain/homology
TRIS-HYDROXYMETHYL-METHYL-AMMONIUM / ACETONITRILE / DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / Bcl-2 homologous antagonist/killer
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.398 Å
AuthorsMiller, M.S. / Czabotar, P.E.
Funding support Australia, United States, 2items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)1016701 Australia
Leukemia & Lymphoma Society United States
CitationJournal: Cell Death Differ. / Year: 2024
Title: A novel inhibitory BAK antibody enables assessment of non-activated BAK in cancer cells.
Authors: Subas Satish, H.P. / Iyer, S. / Shi, M.X. / Wong, A.W. / Fischer, K.C. / Wardak, A.Z. / Lio, D. / Brouwer, J.M. / Uren, R.T. / Czabotar, P.E. / Miller, M.S. / Kluck, R.M.
History
DepositionOct 15, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 10, 2024Provider: repository / Type: Initial release
Revision 1.1Apr 17, 2024Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed
Revision 1.2Jun 26, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Oct 16, 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
L: 14G6 Fab light chain
H: 14G6 Fab heavy chain
C: Bcl-2 homologous antagonist/killer
A: 14G6 Fab light chain
B: 14G6 Fab heavy chain
D: Bcl-2 homologous antagonist/killer
hetero molecules


Theoretical massNumber of molelcules
Total (without water)133,36228
Polymers131,0446
Non-polymers2,31822
Water4,918273
1
L: 14G6 Fab light chain
H: 14G6 Fab heavy chain
C: Bcl-2 homologous antagonist/killer
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,48213
Polymers65,5223
Non-polymers96010
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7750 Å2
ΔGint-10 kcal/mol
Surface area25890 Å2
MethodPISA
2
A: 14G6 Fab light chain
B: 14G6 Fab heavy chain
D: Bcl-2 homologous antagonist/killer
hetero molecules


Theoretical massNumber of molelcules
Total (without water)66,88015
Polymers65,5223
Non-polymers1,35712
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8940 Å2
ΔGint-28 kcal/mol
Surface area25990 Å2
MethodPISA
Unit cell
Length a, b, c (Å)71.554, 72.622, 75.282
Angle α, β, γ (deg.)103.010, 103.980, 112.150
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and resid 1 through 212)
21(chain L and (resid 1 through 211 or (resid 212...
12(chain B and (resid 1 through 133 or resid 139 through 219))
22chain H
13chain C
23(chain D and (resid 21 through 51 or resid 55 or resid 68 through 183))

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
111ASPASPGLUGLU(chain A and resid 1 through 212)AD1 - 2121 - 212
211ASPASPGLUGLU(chain L and (resid 1 through 211 or (resid 212...LA1 - 2121 - 212
112GLUGLUSERSER(chain B and (resid 1 through 133 or resid 139 through 219))BE1 - 1331 - 133
122GLYGLYLYSLYS(chain B and (resid 1 through 133 or resid 139 through 219))BE139 - 219139 - 219
212GLUGLULYSLYSchain HHB1 - 2191 - 219
113SERSERLEULEUchain CCC21 - 1835 - 167
213SERSERGLYGLY(chain D and (resid 21 through 51 or resid 55 or resid 68 through 183))DF21 - 515 - 35
223PROPROPROPRO(chain D and (resid 21 through 51 or resid 55 or resid 68 through 183))DF5539
233SERSERLEULEU(chain D and (resid 21 through 51 or resid 55 or resid 68 through 183))DF68 - 18352 - 167

NCS ensembles :
ID
1
2
3

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Components

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Protein , 1 types, 2 molecules CD

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


Mass: 19037.320 Da / Num. of mol.: 2
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

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Antibody , 2 types, 4 molecules LAHB

#1: Antibody 14G6 Fab light chain


Mass: 23441.998 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293F / Production host: Homo sapiens (human)
#2: Antibody 14G6 Fab heavy chain


Mass: 23042.738 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): Expi293F / Production host: Homo sapiens (human)

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Non-polymers , 8 types, 295 molecules

#4: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-CCN / ACETONITRILE


Mass: 41.052 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H3N
#6: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C4H10O3
#7: Chemical ChemComp-144 / TRIS-HYDROXYMETHYL-METHYL-AMMONIUM


Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H12NO3
#8: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL


Mass: 150.173 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C6H14O4
#9: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#10: Chemical ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400


Mass: 238.278 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H22O6 / Comment: precipitant*YM
#11: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 273 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.51 Å3/Da / Density % sol: 51.02 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.09 M Bis-Tris chloride, pH 5.5, 22.5% PEG3350, 4% acetonitrile

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 12, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.398→45.379 Å / Num. obs: 48280 / % possible obs: 96.3 % / Redundancy: 2.205 % / Biso Wilson estimate: 48.93 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.066 / Rrim(I) all: 0.086 / Χ2: 0.9 / Net I/σ(I): 9.55
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
2.4-2.462.2580.4471.768046375335630.8240.58694.9
2.46-2.532.2450.372.117820359934840.8820.48396.8
2.53-2.62.1940.3392.397468352234040.8980.44496.6
2.6-2.682.150.2812.847126343433140.9120.3796.5
2.68-2.772.0610.2563.216503327031560.9170.33796.5
2.77-2.872.1420.1934.086588318630760.950.25496.5
2.87-2.972.2580.1714.916753312029910.960.22495.9
2.97-3.12.3050.1346.46524293428300.9760.17696.5
3.1-3.232.2680.117.876354288128020.9790.14597.3
3.23-3.392.2480.08410.025863269926080.9880.1196.6
3.39-3.572.2090.06312.735565259125190.9930.08497.2
3.57-3.792.1790.054145240247224050.9950.07197.3
3.79-4.052.0460.04515.684464228621820.9960.0695.5
4.05-4.382.1450.03719.454412212620570.9970.04996.8
4.38-4.82.3220.03223.214470199719250.9970.04296.4
4.8-5.362.2950.03122.683995179117410.9980.04197.2
5.36-6.192.2330.03621.063359155915040.9970.04796.5
6.19-7.582.0780.03420.722624133212630.9970.04594.8
7.58-10.722.2110.02328.66209410289470.9980.0392.1
10.72-45.3792.320.02133.4611815595090.9980.02891.1

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Phasing

PhasingMethod: molecular replacement
Phasing MRR rigid body: 0.627
Highest resolutionLowest resolution
Rotation45.38 Å2.51 Å

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Processing

Software
NameVersionClassificationNB
XDSdata reduction
XSCALEdata scaling
MOLREPphasing
PHENIX1.16_3549refinement
PDB_EXTRACT3.27data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entries 2YV6 & 5W5Z

2yv6

5w5z


Resolution: 2.398→45.379 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.97 / Phase error: 30.42 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2518 2413 5.01 %
Rwork0.2148 45796 -
obs0.2167 48209 96.38 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 144.12 Å2 / Biso mean: 54.8499 Å2 / Biso min: 20.99 Å2
Refinement stepCycle: final / Resolution: 2.398→45.379 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8914 0 150 273 9337
Biso mean--69.27 43.75 -
Num. residues----1157
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A1922X-RAY DIFFRACTION10.367TORSIONAL
12L1922X-RAY DIFFRACTION10.367TORSIONAL
21B1895X-RAY DIFFRACTION10.367TORSIONAL
22H1895X-RAY DIFFRACTION10.367TORSIONAL
31C1363X-RAY DIFFRACTION10.367TORSIONAL
32D1363X-RAY DIFFRACTION10.367TORSIONAL
LS refinement shell

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

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.398-2.44680.3651400.3267265494
2.4468-2.50.32531430.3087270397
2.5-2.55810.29781430.2935271997
2.5581-2.62210.38921430.2837269497
2.6221-2.6930.36161430.2948272396
2.693-2.77220.35071410.2771267796
2.7722-2.86170.32511410.264268197
2.8617-2.96390.28981420.2522268296
2.9639-3.08260.25891410.2429268696
3.0826-3.22290.27551440.2434274097
3.2229-3.39270.26921410.2293269097
3.3927-3.60520.23881450.2027274297
3.6052-3.88340.2451400.2044266997
3.8834-4.2740.22391420.1882270696
4.274-4.89180.18051430.1593270697
4.8918-6.16070.22861430.1803271497
6.1607-45.3790.20181380.1758261094
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
12.09912.1263-0.64535.1397-4.65187.49040.0991-0.9261-0.05040.2042-0.385-0.122-0.03080.34110.38550.5653-0.0298-0.22970.62970.1670.6172-8.46427.77538.5076
21.0173-0.04460.48970.31390.40214.84270.1482-0.3965-0.21550.12160.0780.10970.4848-0.2862-0.18450.4611-0.1537-0.1870.47970.20860.6141-9.26772.4272.7428
33.91860.66240.57382.44120.09113.48740.0743-0.10170.00220.33430.1649-0.1052-0.303-0.1919-0.24690.5584-0.0721-0.08980.44710.1570.451614.51746.172330.0092
41.59391.72760.35891.56590.41712.38570.1532-0.1779-0.5264-0.2933-0.01060.06270.64930.0362-0.14350.6296-0.1267-0.25160.36540.13930.647614.5889-7.4184-5.0784
53.6893-0.3610.69671.1166-1.63874.14330.15650.191-0.2193-0.07690.09980.13450.16850.0111-0.20940.3911-0.0748-0.21420.30290.06740.52697.7323-1.3301-12.6531
60.1015-0.73370.34870.1181.11331.34850.4714-0.4677-0.4968-0.0147-0.0856-0.00890.4442-0.142-0.33980.4873-0.1541-0.24130.34750.20640.573410.2035-2.0746-2.8045
79.43732.405-2.97543.1498-2.38891.91650.4341-1.19570.02880.1023-0.3571-0.0931-0.40090.981-0.07820.4749-0.1022-0.13780.42240.1230.477818.422-5.376329.0504
82.0215-0.6982-0.82842.31340.25771.81120.20230.033-0.0212-0.03470.33550.2050.2839-0.6354-0.44860.5231-0.1963-0.29030.53940.21810.587513.9913-7.463423.2283
94.4122-0.1698-2.37964.5369-3.08638.49950.0448-0.2159-0.4521-0.4755-0.09250.03271.4299-0.58890.03150.6785-0.1047-0.3430.33090.15140.630719.8568-14.468226.4554
107.20730.71441.53074.02640.14424.48860.6171-0.189-0.63650.2945-0.0969-0.19820.4590.0525-0.38480.6681-0.2007-0.32380.44840.19830.6637-20.5547-5.6554-20.3868
116.79021.1713-4.63052.5325-0.86984.60020.1116-0.3403-1.5928-0.4437-0.0972-0.00771.6444-0.23820.35860.7051-0.2885-0.38520.59810.29821.1256-23.1925-11.9509-23.475
124.2546-0.8029-0.1576.03861.44386.85330.24180.933-0.4674-0.00350.0658-0.59830.61191.0745-0.34650.7379-0.0406-0.18460.93350.12390.5571-11.45652.3225-33.9538
135.47610.04092.44910.8057-0.57242.412-0.0320.26920.2614-0.3638-0.03210.0266-0.16880.21430.03120.5918-0.1791-0.23650.43170.20490.5572-17.74014.8399-26.0365
144.08091.90420.3617.98910.19324.2863-0.0113-0.4394-0.1131-0.1112-0.03571.57790.0162-0.80140.0440.5196-0.1714-0.30760.63770.27510.8979-33.4744-1.2232-25.5114
154.3087-3.77581.90417.1491-3.26653.7039-0.2109-0.5-0.07890.49590.08260.3002-0.0303-0.49850.13540.4324-0.1009-0.15430.5470.05270.3883-54.998631.989514.7406
163.5404-0.6680.93972.914-0.30652.7681-0.4926-0.09170.91710.1345-0.0492-0.3738-0.49280.12160.47030.4887-0.1011-0.2480.44340.06150.521-45.716836.645411.6097
174.9387-3.54751.22152.8119-1.3688-0.019-0.0227-0.24880.22280.1423-0.0029-0.1818-0.0394-0.08910.0310.5614-0.0814-0.21930.45990.0770.5184-54.968936.45867.7202
185.4629-0.43811.78913.35861.54431.7690.0523-0.1514-0.3363-0.01980.12730.26810.0312-0.1797-0.19820.3416-0.0727-0.05040.33760.16460.4684-78.43933.9627-11.2038
193.94751.39242.48413.53530.87834.51110.20610.1695-0.0660.22130.14410.20090.3435-0.2732-0.29840.3967-0.0581-0.08960.41140.17730.6061-77.634434.9671-10.8075
201.25520.57-0.27793.23061.19881.6561-0.37770.17960.2993-0.064-0.06450.751-0.4238-0.32680.35740.4216-0.1441-0.14090.56990.1470.6762-86.457639.2141-8.1886
213.17070.78990.97622.32220.01620.6626-0.07780.6038-0.0141-0.32420.0917-0.343-0.40370.84370.00730.4809-0.17-0.13230.54140.25350.512-43.517724.458-12.7423
222.1790.71041.67222.55880.44182.5609-0.03530.58740.11730.1574-0.1904-0.3604-0.29830.45570.24370.3454-0.1457-0.14170.50050.17740.4654-39.3624.8025-3.1623
231.9061-1.005-0.58752.11771.17233.6008-0.7765-0.03490.14610.16360.4333-0.1020.6230.08650.19160.3551-0.1269-0.16060.3030.14290.4623-38.750817.5361.8299
246.04190.95130.37754.44721.60873.0929-0.11740.3214-0.16010.20110.1033-0.01410.05620.0967-0.01610.3484-0.0765-0.15450.30190.08840.4167-39.089416.1624-5.0831
250.8274-0.1495-0.26210.1179-0.12430.07960.13510.65310.2867-0.2378-0.4606-0.1540.00110.6360.11110.4162-0.2245-0.20240.36420.21460.5624-47.236424.6929-6.5559
261.00950.75010.625.54932.8135.7430.0488-0.4986-0.3152-0.5106-0.70131.3194-0.3687-1.1560.81110.33940.0333-0.09210.71250.05720.7027-78.607842.7315-18.7958
273.1984-1.54080.17264.5577-0.03121.43530.11340.0530.00870.0479-0.2858-0.09930.06920.04290.17850.3721-0.1051-0.15610.33050.0960.3915-65.740838.0863-17.3018
282.6682-0.234-0.00235.5443-0.19052.8865-0.0802-0.02470.5698-0.1856-0.13910.0601-0.23220.16480.18390.446-0.1998-0.24330.35070.15480.5389-69.803346.0153-19.5741
296.2557-4.19291.61183.6546-0.86924.26570.26750.5660.6431-1.0016-0.419-0.54380.66140.06190.22710.6263-0.0037-0.09550.44060.25280.4763-66.524441.0966-27.0856
304.9297-0.0995-0.32973.37731.15393.7833-0.18930.75210.91470.33670.0848-0.4259-0.3615-0.29540.11190.6287-0.2095-0.33440.55750.28960.8403-24.581333.737919.5048
311.89940.08820.95230.98031.71794.49150.17650.28810.2126-0.0385-0.2954-0.8214-0.15111.0098-0.05640.5959-0.1785-0.33670.81830.31840.9764-16.851727.722116.0935
323.89650.60574.69111.24440.9977.11720.020.2373-0.32350.0263-0.056-0.04430.3140.3985-0.05660.5149-0.1168-0.22870.42590.16780.6042-24.312520.030923.1451
334.86760.13371.45824.01540.77876.1095-0.2327-0.93650.74340.7402-0.2346-0.0061-0.4703-0.31720.2530.6208-0.0631-0.26940.44640.1280.5812-26.299429.255127.908
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'L' and (resid 1 through 18 )L1 - 18
2X-RAY DIFFRACTION2chain 'L' and (resid 19 through 112 )L19 - 112
3X-RAY DIFFRACTION3chain 'L' and (resid 113 through 212 )L113 - 212
4X-RAY DIFFRACTION4chain 'H' and (resid 1 through 17 )H1 - 17
5X-RAY DIFFRACTION5chain 'H' and (resid 18 through 83 )H18 - 83
6X-RAY DIFFRACTION6chain 'H' and (resid 84 through 124 )H84 - 124
7X-RAY DIFFRACTION7chain 'H' and (resid 125 through 150 )H125 - 150
8X-RAY DIFFRACTION8chain 'H' and (resid 151 through 195 )H151 - 195
9X-RAY DIFFRACTION9chain 'H' and (resid 196 through 219 )H196 - 219
10X-RAY DIFFRACTION10chain 'C' and (resid 21 through 50 )C21 - 50
11X-RAY DIFFRACTION11chain 'C' and (resid 51 through 83 )C51 - 83
12X-RAY DIFFRACTION12chain 'C' and (resid 84 through 106 )C84 - 106
13X-RAY DIFFRACTION13chain 'C' and (resid 107 through 164 )C107 - 164
14X-RAY DIFFRACTION14chain 'C' and (resid 165 through 183 )C165 - 183
15X-RAY DIFFRACTION15chain 'A' and (resid 1 through 32 )A1 - 32
16X-RAY DIFFRACTION16chain 'A' and (resid 33 through 75 )A33 - 75
17X-RAY DIFFRACTION17chain 'A' and (resid 76 through 112 )A76 - 112
18X-RAY DIFFRACTION18chain 'A' and (resid 113 through 162 )A113 - 162
19X-RAY DIFFRACTION19chain 'A' and (resid 163 through 196 )A163 - 196
20X-RAY DIFFRACTION20chain 'A' and (resid 197 through 213 )A197 - 213
21X-RAY DIFFRACTION21chain 'B' and (resid 1 through 17 )B1 - 17
22X-RAY DIFFRACTION22chain 'B' and (resid 18 through 44 )B18 - 44
23X-RAY DIFFRACTION23chain 'B' and (resid 45 through 60 )B45 - 60
24X-RAY DIFFRACTION24chain 'B' and (resid 61 through 83 )B61 - 83
25X-RAY DIFFRACTION25chain 'B' and (resid 84 through 124 )B84 - 124
26X-RAY DIFFRACTION26chain 'B' and (resid 125 through 139 )B125 - 139
27X-RAY DIFFRACTION27chain 'B' and (resid 140 through 180 )B140 - 180
28X-RAY DIFFRACTION28chain 'B' and (resid 181 through 205 )B181 - 205
29X-RAY DIFFRACTION29chain 'B' and (resid 206 through 219 )B206 - 219
30X-RAY DIFFRACTION30chain 'D' and (resid 21 through 50 )D21 - 50
31X-RAY DIFFRACTION31chain 'D' and (resid 51 through 99 )D51 - 99
32X-RAY DIFFRACTION32chain 'D' and (resid 100 through 144 )D100 - 144
33X-RAY DIFFRACTION33chain 'D' and (resid 145 through 183 )D145 - 183

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