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- PDB-9o15: Crystal Structure of BCL-2 (G101V) mutant in complex with a stapl... -

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Basic information

Entry
Database: PDB / ID: 9o15
TitleCrystal Structure of BCL-2 (G101V) mutant in complex with a stapled BAD BH3 peptide BAD SAHB 4.2
Components
  • Apoptosis regulator Bcl-2,Bcl-2-like protein 1
  • stapled BAD BH3 peptide BAD SAHB 4.2
KeywordsAPOPTOSIS / Apoptosis regulator / stapled peptide
Function / homology
Function and homology information


negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / channel inhibitor activity / melanin metabolic process ...negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / channel inhibitor activity / melanin metabolic process / positive regulation of neuron maturation / myeloid cell apoptotic process / cochlear nucleus development / osteoblast proliferation / mesenchymal cell development / retinal cell programmed cell death / negative regulation of osteoblast proliferation / stem cell development / gland morphogenesis / apoptotic process in bone marrow cell / renal system process / regulation of cell-matrix adhesion / The NLRP1 inflammasome / dendritic cell apoptotic process / ear development / negative regulation of calcium ion transport into cytosol / dendritic cell proliferation / SARS-CoV-1-mediated effects on programmed cell death / positive regulation of mononuclear cell proliferation / lymphoid progenitor cell differentiation / melanocyte differentiation / T cell apoptotic process / negative regulation of myeloid cell apoptotic process / negative regulation of epithelial cell apoptotic process / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / regulation of nitrogen utilization / negative regulation of dendritic cell apoptotic process / glomerulus development / focal adhesion assembly / regulation of transmembrane transporter activity / negative regulation of T cell apoptotic process / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / oocyte development / metanephros development / B cell apoptotic process / neuron maturation / Regulation of MITF-M-dependent genes involved in apoptosis / negative regulation of motor neuron apoptotic process / positive regulation of multicellular organism growth / regulation of viral genome replication / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / negative regulation of execution phase of apoptosis / endoplasmic reticulum calcium ion homeostasis / regulation of mitochondrial membrane permeability / fertilization / regulation of growth / calcium ion transport into cytosol / response to UV-B / negative regulation of ossification / response to iron ion / axon regeneration / epithelial cell apoptotic process / negative regulation of mitochondrial depolarization / Bcl-2 family protein complex / motor neuron apoptotic process / positive regulation of smooth muscle cell migration / smooth muscle cell migration / NFE2L2 regulating tumorigenic genes / intrinsic apoptotic signaling pathway in response to oxidative stress / negative regulation of B cell apoptotic process / organ growth / branching involved in ureteric bud morphogenesis / hair follicle morphogenesis / response to cycloheximide / STAT5 activation downstream of FLT3 ITD mutants / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / digestive tract morphogenesis / B cell lineage commitment / hepatocyte apoptotic process / negative regulation of G1/S transition of mitotic cell cycle / pore complex / cellular response to alkaloid / negative regulation of release of cytochrome c from mitochondria / negative regulation of intrinsic apoptotic signaling pathway / negative regulation of reproductive process / negative regulation of developmental process / apoptotic mitochondrial changes / germ cell development / BH3 domain binding / T cell homeostasis / B cell homeostasis / regulation of calcium ion transport / B cell proliferation / humoral immune response / negative regulation of anoikis / negative regulation of apoptotic signaling pathway / extrinsic apoptotic signaling pathway via death domain receptors / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / hematopoietic stem cell differentiation
Similarity search - Function
Apoptosis regulator, Bcl-2 / Apoptosis regulator, Bcl-X / Apoptosis regulator, Bcl-2/ BclX / Apoptosis regulator, Bcl-2, BH4 motif, conserved site / Apoptosis regulator, Bcl-2 family BH4 motif signature. / Apoptosis regulator, Bcl-2 protein, BH4 / Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2 family BH4 motif profile. / BH4 Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2, BH3 motif, conserved site ...Apoptosis regulator, Bcl-2 / Apoptosis regulator, Bcl-X / Apoptosis regulator, Bcl-2/ BclX / Apoptosis regulator, Bcl-2, BH4 motif, conserved site / Apoptosis regulator, Bcl-2 family BH4 motif signature. / Apoptosis regulator, Bcl-2 protein, BH4 / Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2 family BH4 motif profile. / BH4 Bcl-2 homology region 4 / 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
Apoptosis regulator Bcl-2 / Bcl-2-like protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.99 Å
AuthorsSeo, H.-S. / DeAngelo, T.M. / Bird, G.H. / Walensky, L.D. / Dhe-Paganon, S.
Funding support United States, 1items
OrganizationGrant numberCountry
Other private United States
CitationJournal: Nat Commun / Year: 2025
Title: Structural insights into chemoresistance mutants of BCL-2 and their targeting by stapled BAD BH3 helices
Authors: DeAngelo, T.M. / Adhikary, U. / Korshavn, K.J. / Seo, H.S. / Brotzen-Smith, C.R. / Camara, C.M. / Dhe-Paganon, S. / Bird, G.H. / Wales, T.E. / Walensky, L.D.
History
DepositionApr 3, 2025Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 8, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
B: stapled BAD BH3 peptide BAD SAHB 4.2
C: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
D: stapled BAD BH3 peptide BAD SAHB 4.2
E: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
F: stapled BAD BH3 peptide BAD SAHB 4.2
G: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
H: stapled BAD BH3 peptide BAD SAHB 4.2
I: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
J: stapled BAD BH3 peptide BAD SAHB 4.2
K: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
L: stapled BAD BH3 peptide BAD SAHB 4.2
M: stapled BAD BH3 peptide BAD SAHB 4.2
N: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)138,64714
Polymers138,64714
Non-polymers00
Water8,521473
1
A: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
B: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1990 Å2
ΔGint-16 kcal/mol
Surface area8370 Å2
MethodPISA
2
C: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
D: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2070 Å2
ΔGint-12 kcal/mol
Surface area8870 Å2
MethodPISA
3
E: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
F: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2120 Å2
ΔGint-14 kcal/mol
Surface area8500 Å2
MethodPISA
4
G: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
H: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2080 Å2
ΔGint-12 kcal/mol
Surface area8320 Å2
MethodPISA
5
I: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
J: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2020 Å2
ΔGint-11 kcal/mol
Surface area8570 Å2
MethodPISA
6
K: Apoptosis regulator Bcl-2,Bcl-2-like protein 1
L: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)22,1812
Polymers22,1812
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2040 Å2
ΔGint-14 kcal/mol
Surface area8240 Å2
MethodPISA
7
M: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)2,7811
Polymers2,7811
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area150 Å2
ΔGint-1 kcal/mol
Surface area1120 Å2
MethodPISA
8
N: stapled BAD BH3 peptide BAD SAHB 4.2


Theoretical massNumber of molelcules
Total (without water)2,7811
Polymers2,7811
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area140 Å2
ΔGint-1 kcal/mol
Surface area1180 Å2
MethodPISA
Unit cell
Length a, b, c (Å)68.200, 111.770, 147.380
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
Apoptosis regulator Bcl-2,Bcl-2-like protein 1 / Bcl2-L-1 / Apoptosis regulator Bcl-X


Mass: 19399.637 Da / Num. of mol.: 6 / Mutation: G101V
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BCL2, BCL2L1, BCL2L, BCLX / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P10415, UniProt: Q07817
#2: Protein/peptide
stapled BAD BH3 peptide BAD SAHB 4.2


Mass: 2781.196 Da / Num. of mol.: 8 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 473 / Source method: isolated from a natural source / Formula: H2O
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: 2.02 Å3/Da / Density % sol: 39.23 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / Details: 30% Tacsimate, pH 7.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-2 / Wavelength: 0.9793 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Feb 2, 2024
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9793 Å / Relative weight: 1
ReflectionResolution: 1.99→43.23 Å / Num. obs: 76944 / % possible obs: 98.7 % / Redundancy: 7.7 % / CC1/2: 0.997 / Rmerge(I) obs: 0.161 / Rpim(I) all: 0.061 / Rrim(I) all: 0.172 / Net I/σ(I): 8.7 / Num. measured all: 589974
Reflection shellResolution: 1.99→2.02 Å / % possible obs: 97.8 % / Redundancy: 8 % / Rmerge(I) obs: 2.087 / Num. measured all: 29745 / Num. unique obs: 3737 / CC1/2: 0.349 / Rpim(I) all: 0.781 / Rrim(I) all: 2.23 / Net I/σ(I) obs: 0.9

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Processing

Software
NameVersionClassification
PHENIX(1.21_5207: ???)refinement
xia2data scaling
xia2data reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.99→43.23 Å / SU ML: 0.24 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 22.54 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.223 3874 5.04 %
Rwork0.191 --
obs0.192 76895 98.6 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 1.99→43.23 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8371 0 0 473 8844
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0078573
X-RAY DIFFRACTIONf_angle_d0.93711560
X-RAY DIFFRACTIONf_dihedral_angle_d17.2783092
X-RAY DIFFRACTIONf_chiral_restr0.0561149
X-RAY DIFFRACTIONf_plane_restr0.0091486
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.99-2.010.30061350.28342576X-RAY DIFFRACTION98
2.01-2.040.32181390.28342496X-RAY DIFFRACTION98
2.04-2.070.31611290.28662610X-RAY DIFFRACTION98
2.07-2.090.32811350.27972521X-RAY DIFFRACTION98
2.09-2.120.31311590.25592573X-RAY DIFFRACTION98
2.12-2.160.28331180.2452554X-RAY DIFFRACTION98
2.16-2.190.25711300.23932599X-RAY DIFFRACTION98
2.19-2.230.31051460.23462551X-RAY DIFFRACTION98
2.23-2.260.27161440.23052564X-RAY DIFFRACTION98
2.26-2.310.29081260.22022570X-RAY DIFFRACTION98
2.31-2.350.25471260.21442624X-RAY DIFFRACTION98
2.35-2.40.23671280.20792545X-RAY DIFFRACTION98
2.4-2.450.27161410.21222593X-RAY DIFFRACTION98
2.45-2.510.24721260.19742611X-RAY DIFFRACTION99
2.51-2.570.2291530.19192568X-RAY DIFFRACTION99
2.57-2.640.22911440.19022599X-RAY DIFFRACTION99
2.64-2.720.24111300.19972623X-RAY DIFFRACTION99
2.72-2.80.26751250.19182609X-RAY DIFFRACTION99
2.8-2.90.20521320.17692620X-RAY DIFFRACTION99
2.9-3.020.2111380.1832603X-RAY DIFFRACTION99
3.02-3.160.25481260.18242643X-RAY DIFFRACTION99
3.16-3.330.19741600.17812622X-RAY DIFFRACTION99
3.33-3.530.20651470.16032630X-RAY DIFFRACTION99
3.53-3.810.19871550.1542618X-RAY DIFFRACTION99
3.81-4.190.17781430.1572680X-RAY DIFFRACTION99
4.19-4.790.18131370.15762670X-RAY DIFFRACTION99
4.79-6.040.21871490.19062709X-RAY DIFFRACTION99
6.04-43.230.20011530.20622840X-RAY DIFFRACTION99
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)
15.6207-0.5694-2.20445.214-2.42327.4649-0.0189-0.77350.87590.3660.1041-0.6742-0.8040.60990.11980.2732-0.0186-0.04210.2474-0.01720.2937-7.685-17.40533.549
22.3549-1.23690.9072.2599-0.70393.75140.10010.7320.0467-0.2192-0.21430.12960.01420.52060.10910.22790.00690.0550.3070.04970.2745-11.502-24.72223.017
33.15012.672-0.09663.0437-1.48332.5421-0.1492-0.11250.502-0.09020.3031.1331-0.0311-0.3513-0.12890.22920.02780.02570.32120.08810.3045-24.686-14.15123.585
42.3606-0.1223-0.49125.5374-0.56252.74-0.04260.22470.00360.04470.0652-0.09740.067-0.08560.01240.13710.01150.00540.169-0.0010.1531-18.24-21.51231.498
55.9936-4.30041.58077.2568-2.72565.38540.0082-0.3523-0.8901-0.40450.51620.70430.6412-0.4446-0.39390.23380.0025-0.00730.30530.00270.2837-22.668-28.60220.152
67.7133-1.4199-1.34151.85871.18463.18810.54080.3121-0.3265-0.4275-0.6764-0.57250.12750.03030.39160.520.0098-0.07770.65750.00830.466713.182-34.77948.615
76.22011.0039-0.24966.12655.83877.0894-0.0769-0.0272-0.34270.4331-0.33980.37820.612-0.37080.29050.25670.00910.00350.2993-0.0060.28914.611-42.97734.047
83.1882-1.0792-1.82252.60630.76233.6408-0.03960.3328-0.1697-0.3081-0.01980.0393-0.0082-0.02170.10310.20990.0147-0.04280.2617-0.03360.21947.566-34.33424.303
92.47020.2135-0.50753.69841.66514.12710.01150.2201-0.15080.58110.0129-1.2080.21811.01550.07640.2660.0705-0.04190.5368-0.05040.35822.856-41.17225.858
101.7672-0.4352-0.38135.04830.74882.376-0.0321-0.14260.08950.2008-0.0187-0.2182-0.1470.31430.06720.16770.0204-0.03390.3157-0.00930.184415.823-37.18732.368
119.6669-1.84280.28084.9116-1.94224.3770.1225-0.15911.2780.9196-0.2642-0.245-0.4806-0.21610.09510.3190.04820.04050.2973-0.08530.29855.304-23.34538.798
127.0112-4.8711-3.66418.9433.2824.92390.0107-0.28640.7574-0.00090.1609-0.1722-0.48790.4776-0.19740.2857-0.0638-0.01190.3830.00550.29817.707-27.67821.607
134.24830.7893-2.84685.7135-1.0062.0961-0.1167-0.6969-0.0588-0.2326-0.10010.21060.897-0.56551.00770.725-0.12180.10850.73730.02740.5499-3.523-51.33522.416
143.1740.4475-1.26965.36983.273.6523-0.1875-0.0184-0.66290.5033-0.062-0.11121.133-0.59580.21450.3193-0.0610.0430.2765-0.00480.3664-2.123-58.6446.768
153.83431.7942-1.89433.9789-1.60651.6589-0.41510.6674-0.3795-0.51350.34870.14330.5827-1.17560.00930.2389-0.08540.03030.3349-0.0740.3094-11.993-51.0324.921
161.6813-1.6768-1.78573.19120.0714.8089-0.17480.3511-0.2863-1.18540.16910.450.14-0.53870.02210.4463-0.107-0.01370.4114-0.07350.4562-3.505-46.495-10.024
177.1256-5.9268-1.22976.38250.16531.8049-0.0199-0.23790.3109-0.50410.1253-0.50490.03710.1732-0.11670.2637-0.05120.03170.27-0.02770.30479.666-45.427-1.334
182.2156-0.6472-1.07871.0561.62313.16740.02550.20310.2652-0.2650.0882-0.0417-0.1606-0.2683-0.18880.2262-0.01210.01320.2022-0.00860.2296-0.788-45.1972.442
193.7377-0.748-0.74232.51020.81823.7637-0.184-0.1661-0.12290.13690.14360.01720.12530.10380.04270.1534-0.0102-0.00080.12330.01420.1375-1.017-47.12810.542
207.0453-1.0072-5.88711.38661.37165.9640.48440.09790.6687-0.2367-0.07720.0031-0.7836-0.1859-0.28760.24980.0007-0.04320.25710.02980.2711-4.176-37.32-2.602
216.85410.05290.84874.0565-2.57496.819-0.1890.05420.72310.5995-0.1872-0.4164-1.5070.35060.38080.4803-0.1024-0.06620.3407-0.00760.38114.285-3.2287.089
222.9238-0.31030.173.36011.12711.77510.00950.01570.68050.1278-0.0729-0.6796-0.02160.7864-0.04310.3111-0.02320.00670.5020.06890.544311.423-12.2132.547
235.939-3.05323.85364.4986-2.18995.1609-0.43850.925-0.2589-0.52080.60430.2868-0.1675-0.5564-0.17950.4589-0.0648-0.00510.70.12710.4332.627-12.65-11.857
248.2424-5.23-1.05435.42232.08261.59090.05740.6815-0.0984-0.5634-0.04450.7283-0.2469-0.0944-0.10580.2559-0.0253-0.03490.33440.05320.2926-10.723-11.567-2.902
252.54060.1219-0.21182.9543-1.68712.5031-0.0135-0.1382-0.0110.07680.02410.0089-0.07510.1476-0.05550.1863-0.0069-0.00070.26530.0270.1938-0.372-13.9065.713
268.2084-0.63032.56035.6735-1.00814.3487-0.03540.0633-0.7173-0.41670.0347-0.79330.92210.0362-0.09940.2848-0.05420.07990.2832-0.02150.31681.337-22.566-5.27
279.633-2.951-7.18845.19690.42158.1867-0.3614-0.6908-0.22340.4371-0.0786-0.07680.58180.66290.61930.4812-0.0302-0.01570.31340.02060.3911-25.413-17.10358.299
281.0007-0.2472-1.13613.1986-1.20241.9940.0303-0.1908-0.14140.1648-0.1047-0.3790.13580.32760.10650.57870.0090.03610.28510.01040.4074-28.287-21.855.391
296.44633.5684-2.3295.4021-1.32535.6393-0.25420.1679-0.6663-0.3399-0.07630.51740.74480.18820.2910.53490.1024-0.00110.4366-0.0440.55-33.846-15.12539.287
302.09211.6039-1.57564.5847-0.6693.66320.11630.5230.7224-0.12040.16490.5933-0.4181-0.5486-0.37370.38590.0389-0.01870.3044-0.0140.4095-35.275-3.81548.864
313.05771.4703-0.33942.817-1.3552.2775-0.0279-0.01310.10190.2898-0.03180.1642-0.258-0.17940.09650.3334-0.0027-0.00850.1993-0.01890.3023-31.533-9.74755.347
326.44361.4925-0.25817.45643.18035.32770.4807-0.33950.42250.36090.20151.98410.1493-0.5338-0.21050.47590.02310.10490.40830.12880.6335-39.349-24.00963.669
336.73333.339-3.07092.0567-2.37446.4017-0.05540.4217-0.7936-0.16450.00630.10870.1713-0.51350.09160.36320.01570.01010.3682-0.04740.4977-42.922-12.52945.428
345.89350.13012.69555.5345-0.07553.1627-0.1165-0.46520.04720.65030.02270.2948-0.4677-0.5759-0.08640.4967-0.02740.01940.31830.0050.3553-39.228-39.08859.005
352.6141-0.5935-0.38954.91241.91294.32590.16420.22130.0539-0.4234-0.2531-0.0876-0.3192-0.46710.05620.4407-0.059-0.02480.31150.03980.4136-29.97-38.5949.86
363.05952.48861.09662.9880.90222.64660.1040.6307-1.0502-0.0074-0.0779-0.17410.5454-0.0692-0.04890.4747-0.042-0.05940.3097-0.03620.3548-36.611-56.02747.935
377.35580.98631.13382.40980.02583.41690.05310.0737-0.2207-0.0524-0.0597-0.11750.05830.3205-0.02220.3549-0.0167-0.01530.2270.02630.2953-31.049-47.3656.594
384.23312.00121.00026.94930.80924.4620.06530.313-0.33880.05210.0512-1.41990.1440.73110.01310.43440.0696-0.02230.39330.06540.4248-22.88-49.12645.299
396.14821.0476-0.01384.01052.65071.8403-0.4281.48070.7782-1.60470.43830.59770.8913-0.1329-0.31550.99240.0937-0.18651.06720.24310.943714.948-57.36114.551
406.0684-0.2290.05996.821.83351.84411.31550.1250.34290.6632-1.36720.3371-0.2001-0.4210.13741.06380.164-0.02730.9191-0.02750.781215.608-57.18737.883
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 8:90 )A8 - 90
2X-RAY DIFFRACTION2( CHAIN A AND RESID 91:122 )A91 - 122
3X-RAY DIFFRACTION3( CHAIN A AND RESID 123:137 )A123 - 137
4X-RAY DIFFRACTION4( CHAIN A AND RESID 138:203 )A138 - 203
5X-RAY DIFFRACTION5( CHAIN B AND RESID 303:323 )B303 - 323
6X-RAY DIFFRACTION6( CHAIN C AND RESID 4:10 )C4 - 10
7X-RAY DIFFRACTION7( CHAIN C AND RESID 11:90 )C11 - 90
8X-RAY DIFFRACTION8( CHAIN C AND RESID 91:122 )C91 - 122
9X-RAY DIFFRACTION9( CHAIN C AND RESID 123:137 )C123 - 137
10X-RAY DIFFRACTION10( CHAIN C AND RESID 138:193 )C138 - 193
11X-RAY DIFFRACTION11( CHAIN C AND RESID 194:206 )C194 - 206
12X-RAY DIFFRACTION12( CHAIN D AND RESID 303:323 )D303 - 323
13X-RAY DIFFRACTION13( CHAIN E AND RESID 6:10 )E6 - 10
14X-RAY DIFFRACTION14( CHAIN E AND RESID 11:90 )E11 - 90
15X-RAY DIFFRACTION15( CHAIN E AND RESID 91:107 )E91 - 107
16X-RAY DIFFRACTION16( CHAIN E AND RESID 108:118 )E108 - 118
17X-RAY DIFFRACTION17( CHAIN E AND RESID 119:137 )E119 - 137
18X-RAY DIFFRACTION18( CHAIN E AND RESID 138:163 )E138 - 163
19X-RAY DIFFRACTION19( CHAIN E AND RESID 164:205 )E164 - 205
20X-RAY DIFFRACTION20( CHAIN F AND RESID 303:324 )F303 - 324
21X-RAY DIFFRACTION21( CHAIN G AND RESID 9:91 )G9 - 91
22X-RAY DIFFRACTION22( CHAIN G AND RESID 92:107 )G92 - 107
23X-RAY DIFFRACTION23( CHAIN G AND RESID 108:118 )G108 - 118
24X-RAY DIFFRACTION24( CHAIN G AND RESID 119:137 )G119 - 137
25X-RAY DIFFRACTION25( CHAIN G AND RESID 138:204 )G138 - 204
26X-RAY DIFFRACTION26( CHAIN H AND RESID 303:324 )H303 - 324
27X-RAY DIFFRACTION27( CHAIN I AND RESID 9:26 )I9 - 26
28X-RAY DIFFRACTION28( CHAIN I AND RESID 27:107 )I27 - 107
29X-RAY DIFFRACTION29( CHAIN I AND RESID 108:119 )I108 - 119
30X-RAY DIFFRACTION30( CHAIN I AND RESID 120:143 )I120 - 143
31X-RAY DIFFRACTION31( CHAIN I AND RESID 144:193 )I144 - 193
32X-RAY DIFFRACTION32( CHAIN I AND RESID 194:204 )I194 - 204
33X-RAY DIFFRACTION33( CHAIN J AND RESID 303:323 )J303 - 323
34X-RAY DIFFRACTION34( CHAIN K AND RESID 9:88 )K9 - 88
35X-RAY DIFFRACTION35( CHAIN K AND RESID 89:118 )K89 - 118
36X-RAY DIFFRACTION36( CHAIN K AND RESID 119:137 )K119 - 137
37X-RAY DIFFRACTION37( CHAIN K AND RESID 138:202 )K138 - 202
38X-RAY DIFFRACTION38( CHAIN L AND RESID 303:323 )L303 - 323
39X-RAY DIFFRACTION39( CHAIN M AND RESID 303:310 )M303 - 310
40X-RAY DIFFRACTION40( CHAIN N AND RESID 303:311 )N303 - 311

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