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3i1h

Crystal structure of human BFL-1 in complex with BAK BH3 peptide

Method: X-RAY DIFFRACTION Dmax: 50.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Protein BFL-1

Homo sapiens

UniProt Q16548

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 1–151 Fragment：residues 1-151 Non-standard monomer：Yes (specific site not provided by mmCIF) Apoptosis regulator BAK × 1 （Q16611） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；1.5 M sodium malonate, pH 5.8 protein 1.67 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.20 Å R-free 0.238

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3I1H Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2VM6 Human Bcl2-A1 in complex with Bim-BH3 peptide Deposited 2008-01-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–149（149 aa） Fragment：RESIDUES 1-149
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.8；293 K；0.1M BIS, TRIS PH 5.8, 2M AMSO4
Resolution 2.20 Å R-free 0.250
3MQP Crystal Structure of human BFL-1 in complex with NOXA BH3 peptide, Northeast Structural Genomics Consortium Target HR2930 Deposited 2010-04-28 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；296 K；Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 1.5 M Sodium Malonate, 0.1 M sodium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.24 Å R-free 0.230
4ZEQ Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 Deposited 2015-04-20 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；295 K；Sodium Malonate
Resolution 1.80 Å R-free 0.239
5UUK Human Bfl-1 in complex with a Bfl-1-specific selected peptide Deposited 2017-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa） Fragment：UNP residues 1-151
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 7.0
Resolution 1.20 Å R-free 0.163
5UUL Human Bfl-1 in complex with PUMA BH3 Deposited 2017-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa） Fragment：UNP residues 1-151
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 7.0
Resolution 1.33 Å R-free 0.155
5UUP Human Bfl-1 covalently cross-linked to an electrophilic variant of a Bfl-1-specific selected peptide Deposited 2017-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa） Fragment：UNP residues 1-151
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 7.0
Resolution 1.73 Å R-free 0.206
5WHH Crystal Structure of Bcl-2-related protein A1 in complex with stapled peptide (AQ7)T(0EH)LRRFGD(MK8)INFRQ(NH2) Deposited 2017-07-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Mutation：C4S, C19S CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；PEG3350 20%, 0.2M Sodium malonate
Resolution 2.38 Å R-free 0.293
5WHI Crystal Structure of Bcl-2-related protein A1 Deposited 2017-07-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa） Fragment：BFL1
Mutation：C4S, C19S CAD CACODYLIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；PEG2000
Resolution 1.69 Å R-free 0.233
6E3I Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F4 Deposited 2018-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 7.0
Resolution 1.48 Å R-free 0.173
6E3J Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F10 Deposited 2018-07-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 7.0
Resolution 1.48 Å R-free 0.178
6MBB Human Bfl-1 in complex with the designed peptide dF1 Deposited 2018-08-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.8 M ammonium sulfate, 0.1 M MES pH 6.5
Resolution 1.59 Å R-free 0.196
6MBC Human Bfl-1 in complex with the designed peptide dF4 Deposited 2018-08-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–151（151 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；1.8 - 2.0 M NH4SO4, 50 mM MES pH 6.5
Resolution 1.75 Å R-free 0.212
6RJP Bfl-1 in complex with alpha helical peptide Deposited 2019-04-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–149（149 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.1 M sodium acetate pH 4.6 16% (w/v) PEG smear high
Resolution 2.57 Å R-free 0.266
6RJP Bfl-1 in complex with alpha helical peptide Deposited 2019-04-29 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–149（149 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.1 M sodium acetate pH 4.6 16% (w/v) PEG smear high
Resolution 2.57 Å R-free 0.266
6VO4 Crystal Structure Analysis of BFL1 Deposited 2020-01-29 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；3.5M Sodium formate, pH 7.0
Resolution 1.74 Å R-free 0.283
8RPO BFL1 in complex with a reversible covalent ligand Deposited 2024-01-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1H2C (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；sodium citrate 0.3M, PCTP pH 6
Resolution 1.79 Å R-free 0.262
9EW8 Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-04-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1H7Q 1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.85M sodium citrate, 0.1M PCTP pH 6
Resolution 1.49 Å R-free 0.271
9FKY Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1IDP ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；310 K；PCPT 0.1M pH 5, Na3 Cit 1.1M
Resolution 1.56 Å R-free 0.237
9FKY Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–151（151 aa）
Not recorded A1IDP ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；310 K；PCPT 0.1M pH 5, Na3 Cit 1.1M
Resolution 1.56 Å R-free 0.237
9FKZ Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1IDO ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；310 K；Na3 Cit 1M, PCPT 0.1M pH 7
Resolution 1.68 Å R-free 0.339
9FL0 Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1IDG ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；310 K；PCPT 0.1M pH 7, Na3 Cit 1M
Resolution 1.94 Å R-free 0.281
9FL0 Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors Deposited 2024-06-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–151（151 aa）
Not recorded A1IDG ~{N}-[(4-chlorophenyl)methyl]-~{N}-(4-fluorophenyl)prop-2-enamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；310 K；PCPT 0.1M pH 7, Na3 Cit 1M
Resolution 1.94 Å R-free 0.281
9GIP BFL1 covalently bound to inhibitor compound 7 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1ILY ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.71；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 8.71, Na3 Citrate 0.93 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.46 Å R-free 0.249
9GIQ BFL1 covalently bound to inhibitor compound 13 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded BUD (2S,3S)-butane-2,3-diol × 1 A1ILV ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9.5；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 9.50, Na3 Citrate 0.60 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.42 Å R-free 0.257
9GIR BFL1 covalently bound to inhibitor compound 39 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1ILX ~{N}-[4-[(1~{R},3~{R})-3-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]cyclopentyl]oxy-3-chloranyl-phenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.71；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 4.78, Na3 Citrate 0.60 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.07 Å R-free 0.210
9GIS BFL1 covalently bound to inhibitor compound 17 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1ILU ~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.93；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 7.93, Na3 Citrate 0.60 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.39 Å R-free 0.254
9GIS BFL1 covalently bound to inhibitor compound 17 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–151（151 aa）
Not recorded A1ILU ~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.93；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 7.93, Na3 Citrate 0.60 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.39 Å R-free 0.254
9GIT BFL1 covalently bound to inhibitor compound 43 Deposited 2024-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1ILW (3~{S})-3-[[4-[(1~{R},3~{R})-3-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]cyclopentyl]oxy-3-fluoranyl-phenyl]-propanoyl-amino]-3-(4-chlorophenyl)propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.14；293 K；Protein:ligand complex at ~4mg/ml in 20 mM HEPES pH 7.5, 150 mM NaCl, 5% glycerol, 2 mM TCEP, 1%DMSO. 150nL mixed with 150nL of well solution, 0.1M PCPT* pH 7.14, Na3 Citrate 0.92 M. *PCPT = Sodium propionate, sodium cacodylate trihydrate, bis-tris propane buffer system. Using STPLabtech Mosquito.
Resolution 1.15 Å R-free 0.212
9S6M Structure of BFL1 in complex with a covalent inhibitor, alternative series, cmpd25 Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–151（151 aa）
Not recorded A1JL2 (1~{R},2~{R})-2-azanyl-~{N}-[4-[(1~{R})-1-[propanoyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl]phenyl]cyclopentane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystallization of adducted protein was carried out using a 2D optimization grid, (sodium citrate 0.6-1.1 M, vs PCTP buffer, 0.1 M pH 4.5-9.5). 300 nL drops (150 nL protein, 150 nL mother liquor) were incubated at 293 K in a sitting drop vapour diffusion format, dispensed using a Mosquito (SPT Labtech) and SWISSCI MRC 2-drop plates
Resolution 1.43 Å R-free 0.214
9S6M Structure of BFL1 in complex with a covalent inhibitor, alternative series, cmpd25 Deposited 2025-08-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–151（151 aa）
Not recorded A1JL2 (1~{R},2~{R})-2-azanyl-~{N}-[4-[(1~{R})-1-[propanoyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl]phenyl]cyclopentane-1-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Crystallization of adducted protein was carried out using a 2D optimization grid, (sodium citrate 0.6-1.1 M, vs PCTP buffer, 0.1 M pH 4.5-9.5). 300 nL drops (150 nL protein, 150 nL mother liquor) were incubated at 293 K in a sitting drop vapour diffusion format, dispensed using a Mosquito (SPT Labtech) and SWISSCI MRC 2-drop plates
Resolution 1.43 Å R-free 0.214

25 other PDB entries and 30 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name B2LA1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 11–161； UniProt 1–151

Apoptosis regulator BAK

OrganismNot specified

UniProt Q16611

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 72–87 Fragment：BH3 Protein BFL-1 × 1 （Q16548） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.8；298 K；1.5 M sodium malonate, pH 5.8 protein 1.67 mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.20 Å R-free 0.238

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3I1H Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BXL STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1996-10-16 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 72–87（16 aa） Fragment：RESIDUES 572 - 587 OF BAK PROTEIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions 303 K
Resolution not provided
2IMS The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site Deposited 2006-10-04 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 16–186（171 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；PEG 3350 15-30% and 1-50 mM zinc acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.48 Å R-free 0.204
2IMT The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site Deposited 2006-10-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 16–186（171 aa）
Not recorded ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；PEG 3350 15-30% and 0.2 M ammonium fluoride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.49 Å R-free 0.220
2IMT The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site Deposited 2006-10-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 16–186（171 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；PEG 3350 15-30% and 0.2 M ammonium fluoride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.49 Å R-free 0.220
2JCN The crystal structure of BAK1 - a mitochondrial apoptosis regulator Deposited 2006-12-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–190（170 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；22% PEG3350, 20% GLYCEROL, 0.2M SODIUM SULPHATE, 2MM TCEP, 0.3M NACL, 20 MM HEPES PH7.5, pH 7.50
Resolution 1.80 Å R-free 0.232
2LP8 SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL Deposited 2012-02-03 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 72–87（16 aa） Fragment：BH3 domain residues 72-87
Mutation：Q73C, Q77A, I80A, I81F, D84C Non-standard monomer：Yes (specific site not provided by mmCIF) 33B 3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid} × 1 SOLUTION NMR
NMR measurement conditions pH 7.3；298 K；Ionic strength (raw mmCIF value) 50；Pressure AMBIENT
NMR sample composition 1 MM [U-98% 13C U-98% 15N] BCL- XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 5 MM 2- MERCAPTOETHANOL, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 MM [U-98% 13C U-98% 15N] BCL- XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 MM [U-98% 13C U-98% 15N] BCL-XL, 1.1 MM PHOTOSWITCHABLE BAK, 5 MM SODIUM PHOSPHATE, 100% D2O | 90% H2O/10% D2O
Resolution not provided
2M5B The NMR structure of the BID-BAK complex Deposited 2013-02-19 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 18–186（169 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；300 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition ~0.5 mM [U-98% 13C; U-98% 15N] human cBAK, ~0.5 mM human BID BH3 SAHB, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2XPX Crystal structure of BHRF1:Bak BH3 complex Deposited 2010-08-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 67–92（26 aa） Fragment：RESIDUES 67-92
Not recorded NO3 NITRATE ION × 4 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.4；1.6 M NANO3, 50 MM MALIC ACID PH 4.4
Resolution 2.05 Å R-free 0.217
2YV6 Crystal structure of human Bcl-2 family protein Bak Deposited 2007-04-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 23–185（163 aa） Fragment：residues 23-185
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.2；293 K；ammonium sulfate, iso-propanol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.248
3QBR BakBH3 in complex with sjA Deposited 2011-01-13 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 63–96（34 aa） Fragment：BH3 (UNP RESIDUES 63-96)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；295 K；1M tri-sodium citrate, 0.1M CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å R-free 0.234
3QBR BakBH3 in complex with sjA Deposited 2011-01-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain Y 63–96（34 aa） Fragment：BH3 (UNP RESIDUES 63-96)
Not recorded NHE 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；295 K；1M tri-sodium citrate, 0.1M CHES, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å R-free 0.234
4D2L Vaccinia Virus F1L bound to Bak BH3 Deposited 2014-05-12 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 67–91（25 aa） Fragment：RESIDUES 67-91
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.18 M AMMONIUM SULFATE AND 2.25 M LICL., pH 7.5
Resolution 2.90 Å R-free 0.228
4U2U Bak domain swapped dimer induced by BidBH3 with CHAPS Deposited 2014-07-18 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain B 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；26.7% PEG 3350, 0.05 M sodium acetate
Resolution 2.90 Å R-free 0.263
4U2V Bak BH3-in-Groove dimer (GFP) Deposited 2014-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 68–148（81 aa） Fragment：UNP P42212 residues 1-230, UNP Q16611 residues 68-148
Chain C 68–148（81 aa） Fragment：UNP P42212 residues 1-230, UNP Q16611 residues 68-148
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CAC CACODYLATE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；4.5% PEG 8000, 40% MPD, 100 mM tri-sodium citrate, 90 mM cacodylate acid pH 6.5 and 1% Octyl glucoside
Resolution 2.30 Å R-free 0.250
4U2V Bak BH3-in-Groove dimer (GFP) Deposited 2014-07-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：UNP P42212 residues 1-230, UNP Q16611 residues 68-148
Chain D 68–148（81 aa） Fragment：UNP P42212 residues 1-230, UNP Q16611 residues 68-148
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) CAC CACODYLATE ION × 5 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；281 K；4.5% PEG 8000, 40% MPD, 100 mM tri-sodium citrate, 90 mM cacodylate acid pH 6.5 and 1% Octyl glucoside
Resolution 2.30 Å R-free 0.250
4UF1 Deerpox virus DPV022 in complex with Bak BH3 Deposited 2014-12-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 67–92（26 aa） Fragment：BH3, UNP RESIDUES 67-92
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.5；17% PEG 8000, 0.2M MES PH 5.5, 0.2M AMMONIUM SULPHATE
Resolution 2.30 Å R-free 0.206
5AJK Crystal structure of variola virus virulence factor F1L in complex with human Bak BH3 domain Deposited 2015-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 67–92（26 aa） Fragment：RESIDUES 67-92
Chain D 67–92（26 aa） Fragment：RESIDUES 67-92
Not recorded CL CHLORIDE ION × 2 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；1.7 M MGSO4, 0.1 M NA-ACETATE PH 5.2
Resolution 2.55 Å R-free 0.240
5AJK Crystal structure of variola virus virulence factor F1L in complex with human Bak BH3 domain Deposited 2015-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain F 67–92（26 aa） Fragment：RESIDUES 67-92
Chain L 67–92（26 aa） Fragment：RESIDUES 67-92
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；1.7 M MGSO4, 0.1 M NA-ACETATE PH 5.2
Resolution 2.55 Å R-free 0.240
5AJK Crystal structure of variola virus virulence factor F1L in complex with human Bak BH3 domain Deposited 2015-02-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain H 67–92（26 aa） Fragment：RESIDUES 67-92
Chain J 67–92（26 aa） Fragment：RESIDUES 67-92
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；1.7 M MGSO4, 0.1 M NA-ACETATE PH 5.2
Resolution 2.55 Å R-free 0.240
5FMI Human Bak Q77L Deposited 2015-11-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–184（162 aa） Fragment：UNP RESIDUES 23-184
Mutation：YES ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；10% PEG 3350, 0.1M SODIUM ACETATE PH 4.5, 20 MM ZINC ACETATE
Resolution 1.49 Å R-free 0.211
5FMK Bcl-xL with Bak BH3 complex Deposited 2015-11-06 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 63–96（34 aa） Fragment：BH3 DOMAIN, UNP RESIDUES 63-96
Not recorded GOL GLYCEROL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；0.16M CALCIUM ACETATE, 0.08M SODIUM CACODYLATE, PH6.5, 20% GLYCEROL, 14.4% PEG 8000
Resolution 1.73 Å R-free 0.186
5VWV Bak core latch dimer in complex with Bim-BH3 - Cubic Deposited 2017-05-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S TFA trifluoroacetic acid × 1 EDO 1,2-ETHANEDIOL × 6 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；18 % glycerol, 21.6 % PEG (poly-ethylene glycol) 1500 and 0.5 % ethyl acetate
Resolution 1.90 Å R-free 0.177
5VWV Bak core latch dimer in complex with Bim-BH3 - Cubic Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S TFA trifluoroacetic acid × 2 EDO 1,2-ETHANEDIOL × 12 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；18 % glycerol, 21.6 % PEG (poly-ethylene glycol) 1500 and 0.5 % ethyl acetate
Resolution 1.90 Å R-free 0.177
5VWW Bak core latch dimer in complex with Bim-RT - Tetragonal Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain B 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S Mutation：C166S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 BR BROMIDE ION × 2 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；12.5 % MPD (2-methyl-2,4-pentanediol), 38 mM imidazole pH 6.5, 12.5 % PEG 1000, 12.5 % PEG 3350, 30 mM sodium fluoride, 30 mM sodium iodide, 62 mM sodium MES pH 6.5 and 30 mM sodium bromide
Resolution 2.80 Å R-free 0.281
5VWX Bak core latch dimer in complex with Bim-h0-h3Glt Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain C 23–186（164 aa） Fragment：UNP residues 23-186
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；281 K；200 mM calcium acetate, 30 % PEG 400 and 100 mM sodium acetate-acetic acid pH 5.0
Resolution 2.49 Å R-free 0.305
5VWY Bak core latch dimer in complex with Bim-h3Pc-RT Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；15.8 % PEG 8000, 50 mM potassium dihydrogen phosphate, and 22.7 % glycerol
Resolution 1.55 Å R-free 0.216
5VWZ Bak in complex with Bim-h3Pc Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain C 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S Mutation：C166S 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 2 NH4 AMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；10 % PEG 20000, 20 % PEG MME 550, 38 mM Imidazole pH 6.5, 20 mM ammonium acetate, 20 mM potassium sodium tartrate, 20 mM sodium formate, 62 mM sodium MES pH 6.5, 20 mM trisodium citrate, and 20 mM sodium oxamate
Resolution 1.62 Å R-free 0.191
5VX0 Bak in complex with Bim-h3Glg Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain C 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：C166S Mutation：C166S MG MAGNESIUM ION × 6 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；200 mM magnesium chloride, 25 % PEG 3350, and 100 mM bis-tris chloride (pH 6.5)
Resolution 1.60 Å R-free 0.200
5VX1 Bak L100A Deposited 2017-05-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa） Fragment：UNP residues 23-186
Chain B 23–186（164 aa） Fragment：UNP residues 23-186
Mutation：L100A, C166S Mutation：L100A, C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；1M sodium malonate-malonic acid pH 7.0 and 10 % DL-malate-MES-tris pH 9
Resolution 1.22 Å R-free 0.193
6ODH BH3 domain swapped dimer of a BAK fragment Deposited 2019-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 71–147（77 aa） Fragment：residues 71-147
Chain B 71–147（77 aa） Fragment：residues 71-147
Not recorded SO4 SULFATE ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；12% PEG 3350 and 100 mM ammonium sulfate
Resolution 2.30 Å R-free 0.271
6ODH BH3 domain swapped dimer of a BAK fragment Deposited 2019-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 71–147（77 aa） Fragment：residues 71-147
Chain D 71–147（77 aa） Fragment：residues 71-147
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；12% PEG 3350 and 100 mM ammonium sulfate
Resolution 2.30 Å R-free 0.271
6ODH BH3 domain swapped dimer of a BAK fragment Deposited 2019-03-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 71–147（77 aa） Fragment：residues 71-147
Chain F 71–147（77 aa） Fragment：residues 71-147
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；12% PEG 3350 and 100 mM ammonium sulfate
Resolution 2.30 Å R-free 0.271
6UXM Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain B 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；ammonium sulphate, PEG 10000, sodium acetate, bis-tris chloride
Resolution 2.49 Å R-free 0.237
6UXM Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain D 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；ammonium sulphate, PEG 10000, sodium acetate, bis-tris chloride
Resolution 2.49 Å R-free 0.237
6UXM Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain F 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PEE 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；ammonium sulphate, PEG 10000, sodium acetate, bis-tris chloride
Resolution 2.49 Å R-free 0.237
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa）
Chain B 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 4 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 68–148（81 aa）
Chain D 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 68–148（81 aa）
Chain F 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 3 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 68–148（81 aa）
Chain H 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 3 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 68–148（81 aa）
Chain J 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXN Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 68–148（81 aa）
Chain L 68–148（81 aa）
Not recorded 8SP O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine × 3 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；ammonium sulphate
Resolution 2.49 Å R-free 0.253
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain B 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 SO4 SULFATE ION × 6 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain D 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 SO4 SULFATE ION × 7 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain F 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 5 SO4 SULFATE ION × 5 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain H 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 4 SO4 SULFATE ION × 7 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain J 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 5 SO4 SULFATE ION × 6 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXO Crystal structure of BAK core domain BH3-groove-dimer in complex with DDM Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain L 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 3 SO4 SULFATE ION × 4 ACT ACETATE ION × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；ammonium sulfate, n-Dodecyl-b-D-maltoside, sodium acetate
Resolution 1.80 Å R-free 0.250
6UXP Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain B 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PG8 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；magnesium chloride, PEG 4000, tris-chloride
Resolution 2.49 Å R-free 0.247
6UXP Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain D 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PG8 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) × 3 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；magnesium chloride, PEG 4000, tris-chloride
Resolution 2.49 Å R-free 0.247
6UXP Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain F 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PG8 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；magnesium chloride, PEG 4000, tris-chloride
Resolution 2.49 Å R-free 0.247
6UXP Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain H 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded PG8 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；magnesium chloride, PEG 4000, tris-chloride
Resolution 2.49 Å R-free 0.247
6UXQ Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain B 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded SO4 SULFATE ION × 3 C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE × 6 EDO 1,2-ETHANEDIOL × 3 LBN 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；ammonium sulphate, trisodium citrate, tetraethylene glycol monooctyl ether, 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine
Resolution 1.70 Å R-free 0.214
6UXQ Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4 Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain D 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded SO4 SULFATE ION × 1 C8E (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；ammonium sulphate, trisodium citrate, tetraethylene glycol monooctyl ether, 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine
Resolution 1.70 Å R-free 0.214
6UXR Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC Deposited 2019-11-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Chain B 68–148（81 aa） Fragment：Core/dimerisation domain, residues 68-148
Not recorded K6G [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate × 2 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；calcium chloride, PEG 3350, sodium acetate, sodium HEPES
Resolution 1.80 Å R-free 0.232
7K02 The crystal structure of a BAK dimer activated by detergent Deposited 2020-09-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 67–186（120 aa）
Chain B 67–186（120 aa）
Mutation：C166S Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；291 K；50% (v/v) methane pentane diol (MPD) and 0.1 M imidazole pH 7.0
Resolution 3.40 Å R-free 0.343
7K02 The crystal structure of a BAK dimer activated by detergent Deposited 2020-09-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 67–186（120 aa）
Chain D 67–186（120 aa）
Mutation：C166S Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；291 K；50% (v/v) methane pentane diol (MPD) and 0.1 M imidazole pH 7.0
Resolution 3.40 Å R-free 0.343
7K02 The crystal structure of a BAK dimer activated by detergent Deposited 2020-09-02 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 67–186（120 aa）
Chain F 67–186（120 aa）
Mutation：C166S Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；291 K；50% (v/v) methane pentane diol (MPD) and 0.1 M imidazole pH 7.0
Resolution 3.40 Å R-free 0.343
7LK4 Crystal structure of BAK L100A in complex with activating antibody fragments Deposited 2021-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain P 23–186（164 aa）
Chain R 23–186（164 aa）
Mutation：L100A, C166S Mutation：L100A, C166S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；38.9 % 2-methyl-2,4-pentanediol, 0.1 M Sodium cacodylate pH 6.44, 4 % Polyethylene glycol 8000
Resolution 3.10 Å R-free 0.262
7LK4 Crystal structure of BAK L100A in complex with activating antibody fragments Deposited 2021-02-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain Q 23–186（164 aa）
Chain S 23–186（164 aa）
Mutation：L100A, C166S Mutation：L100A, C166S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；38.9 % 2-methyl-2,4-pentanediol, 0.1 M Sodium cacodylate pH 6.44, 4 % Polyethylene glycol 8000
Resolution 3.10 Å R-free 0.262
7M5A Crystal Structure of human BAK in complex with W3W5_BID Deposited 2021-03-23 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 21–186（166 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；293 K；0.2 M Potassium Sodium tartrate, 20% PEG 3350
Resolution 1.50 Å R-free 0.219
7M5B Crystal Structure of human BAK in complex with M3W5_BID Deposited 2021-03-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 21–186（166 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；15% PEG 4000 0.2 M NaCl 0.1 MES 6.5
Resolution 1.85 Å R-free 0.205
7M5B Crystal Structure of human BAK in complex with M3W5_BID Deposited 2021-03-23 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 21–186（166 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；15% PEG 4000 0.2 M NaCl 0.1 MES 6.5
Resolution 1.85 Å R-free 0.205
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 21–186（166 aa）
Chain B 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain S 21–186（166 aa）
Chain T 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 21–186（166 aa）
Chain D 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 21–186（166 aa）
Chain F 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 21–186（166 aa）
Chain H 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain I 21–186（166 aa）
Chain J 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain K 21–186（166 aa）
Chain L 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain M 21–186（166 aa）
Chain N 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain O 21–186（166 aa）
Chain P 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7M5C Crystal Structure of human BAK in complex with WT BAK BH3 peptide Deposited 2021-03-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain Q 21–186（166 aa）
Chain R 68–89（22 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 6.5；293 K；0.1 M MES (pH 6.5), 0.5 M Ammonium Sulfate
Resolution 3.06 Å R-free 0.249
7OFM NMR structure of the Bak transmembrane helix in DPC micelles Deposited 2021-05-05 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 183–211（29 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；310 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 400 uM [U-13C; U-15N; U-2H] Bak-TMH, 20 mM sodium phosphate, 50 mM sodium chloride, 0.5 mM EDTA, 5 mM DTT, 300 mM DPC, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
7OFO NMR structure of the Bak transmembrane helix in lipid nanodiscs Deposited 2021-05-05 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 183–211（29 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；315 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 400 uM [U-13C; U-15N; U-2H] Bak transmembrane helix, 20 mM sodium phosphate, 50 mM sodium chloride, 1 mM EDTA, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
8CZF Human BAK in complex with the dF2 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.2 M sodium malonate
Resolution 1.30 Å R-free 0.180
8CZG Human BAK in complex with the dF3 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350 (20% w/v), 0.2 M calcium acetate
Resolution 1.99 Å R-free 0.267
8CZG Human BAK in complex with the dF3 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350 (20% w/v), 0.2 M calcium acetate
Resolution 1.99 Å R-free 0.267
8CZG Human BAK in complex with the dF3 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350 (20% w/v), 0.2 M calcium acetate
Resolution 1.99 Å R-free 0.267
8CZG Human BAK in complex with the dF3 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；PEG 3350 (20% w/v), 0.2 M calcium acetate
Resolution 1.99 Å R-free 0.267
8CZH Human BAK in complex with the dM2 peptide Deposited 2022-05-24 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 23–186（164 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；3.5 M sodium formate
Resolution 1.30 Å R-free 0.201
8GSV Crystal structure of human BAK in complex with the Pxt1 BH3 domain Deposited 2022-09-07 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 24 PDB declaration: 24-meric
Chain A 23–185（163 aa）
Chain C 23–185（163 aa）
Chain E 23–185（163 aa）
Chain G 23–185（163 aa）
Chain I 23–185（163 aa）
Chain K 23–185（163 aa）
Chain M 23–185（163 aa）
Chain O 23–185（163 aa）
Chain Q 23–185（163 aa）
Chain S 23–185（163 aa）
Chain U 23–185（163 aa）
Chain W 23–185（163 aa）
Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.1 M Sodium citrate(pH 4.8) and 17 % PEG 3000
Resolution 2.20 Å R-free 0.266
8IGC Crystal structure of Bak bound to Bnip5 BH3 Deposited 2023-02-20 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 23–183（161 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；0.7 M sodium citrate tribasic dehydrate and 0.1 M Tris-HCl (pH 8.5)
Resolution 1.70 Å R-free 0.226
8IVB K113-Ubiquitinated BAK Deposited 2023-03-26 Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 18–186（169 aa）
Mutation：K113C No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；310 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 20 mM sodium phosphate, 0.1 M sodium chloride, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
8SRX Crystal structure of BAK-BAX heterodimer with lysoPC Deposited 2023-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 68–146（79 aa）
Chain C 68–146（79 aa）
Not recorded K6G [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate × 3 ZN ZINC ION × 1 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；0.1 M Bis-tris chloride pH 5.5, 25% PEG 3350, 200 mM sodium acetate
Resolution 2.09 Å R-free 0.265
8SRY Crystal structure of BAK-BAX heterodimer with C12E8 Deposited 2023-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 68–146（79 aa）
Chain C 68–146（79 aa）
Not recorded PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 PEG DI(HYDROXYETHYL)ETHER × 2 N8E 3,6,9,12,15-PENTAOXATRICOSAN-1-OL × 1 P33 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；281 K；30% PEG MME 2000, 0.1 M potassium thiocyanate, 0.01% C12E8
Resolution 2.40 Å R-free 0.248
8UKY Crystal structure of BAK in complex with inhibiting antibody 14G6 Deposited 2023-10-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 23–186（164 aa）
Not recorded SO4 SULFATE ION × 1 CCN ACETONITRILE × 3 PEG DI(HYDROXYETHYL)ETHER × 3 144 TRIS-HYDROXYMETHYL-METHYL-AMMONIUM × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.09 M Bis-Tris chloride, pH 5.5, 22.5% PEG3350, 4% acetonitrile
Resolution 2.40 Å R-free 0.252
8UKY Crystal structure of BAK in complex with inhibiting antibody 14G6 Deposited 2023-10-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain D 23–186（164 aa）
Not recorded SO4 SULFATE ION × 2 PEG DI(HYDROXYETHYL)ETHER × 5 144 TRIS-HYDROXYMETHYL-METHYL-AMMONIUM × 1 PGE TRIETHYLENE GLYCOL × 1 EDO 1,2-ETHANEDIOL × 2 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.09 M Bis-Tris chloride, pH 5.5, 22.5% PEG3350, 4% acetonitrile
Resolution 2.40 Å R-free 0.252
8Y1Y Crystal structure of the Mcl-1 in complex with a long BH3 peptide of BAK Deposited 2024-01-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 72–92（21 aa）
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.01M Nickel (II) Chloride, 0.1M Tris-HCl pH 8.5, 20% polyethylene glycol monomethyl ether 2000
Resolution 2.01 Å R-free 0.252
8Y1Z Crystal structure of the Mcl-1 in complex with a Short BH3 peptide of BAK Deposited 2024-01-25 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 72–87（16 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Lithium Acetate, 18-25% polyethylene glycol 3350
Resolution 1.91 Å R-free 0.235
9CLB Crystal structure of Bak bound to the inhibitory aBAK Deposited 2024-07-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 86–186（101 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.1 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.2 M L-Proline and 10% (w/v) polyethylene glycol (PEG) 3350
Resolution 2.86 Å R-free 0.270
9CLB Crystal structure of Bak bound to the inhibitory aBAK Deposited 2024-07-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 86–186（101 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.1 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.2 M L-Proline and 10% (w/v) polyethylene glycol (PEG) 3350
Resolution 2.86 Å R-free 0.270
9CLB Crystal structure of Bak bound to the inhibitory aBAK Deposited 2024-07-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 86–186（101 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.1 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.2 M L-Proline and 10% (w/v) polyethylene glycol (PEG) 3350
Resolution 2.86 Å R-free 0.270
9CLB Crystal structure of Bak bound to the inhibitory aBAK Deposited 2024-07-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 86–186（101 aa）
Mutation：C166S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.1 M 2-(N-Morpholino)ethanesulfonic acid (MES) pH 6.5, 0.2 M L-Proline and 10% (w/v) polyethylene glycol (PEG) 3350
Resolution 2.86 Å R-free 0.270
9CPE Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 20–186（167 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 3350, 0.1 M sodium acetate, 0.1M HEPES pH 7.5
Resolution 1.49 Å R-free 0.212
9CPF Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.70 Å R-free 0.224
9CPF Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.70 Å R-free 0.224
9CPF Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.70 Å R-free 0.224
9CPF Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.70 Å R-free 0.224
9CPH Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric
Chain B 69–89（21 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.34 Å
9CPN Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.89 Å R-free 0.243
9CPN Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.89 Å R-free 0.243
9CPN Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.89 Å R-free 0.243
9CPN Structural basis of BAK sequestration by MCL-1 and consequences for apoptosis initiation Deposited 2024-07-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Other combination Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 68–89（22 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；15-25% PEG 4000, 0.2 M lithium sulfate, 0.1 M TRIS pH 8.5
Resolution 1.89 Å R-free 0.243

53 other PDB entries and 103 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BAK_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–16； UniProt 72–87

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3i1h

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3i1h
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3i1h
Deposition date deposition_date2009-06-26
Structure title titleCrystal structure of human BFL-1 in complex with BAK BH3 peptide
Keywords keywords;Bcl-2 family, Bfl-1, BAK BH3, complex, apoptosis, pro-survival protein, Structural Genomics, PSI-2, Protein Structure Initiative, Northeast Structural Genomics Consortium, NESG, Membrane, Metal-binding, Transmembrane ;; APOPTOSIS
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier16.27 Å
Radius of gyration Rg (electron density) rg_electron14.73 Å
Forward intensity I(0) i06077170.00
Molecular weight molecular_weight18206.0 kDa
Excluded volume excluded_volume22972 ų
Envelope volume envelope_volume25324 ų
Hydration-shell volume shell_volume14279 ų
Envelope diameter envelope_diameter49.1 Å
Shell Rg shell_rg20.84 Å
Envelope Rg envelope_rg15.07 Å
Shape Rg shape_rg14.69 Å
Total Rg total_rg16.02 Å
Total atoms total_atoms1284
Residues n_residues157
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax50.8 Å
Rg (real space) rg_real16.13 Å
Rg uncertainty (real space) rg_real_error0.24 Å
I(0) (real space) i0_real6.0770e+06
I(0) uncertainty (real space) i0_real_error6.7250e+04
Rg (reciprocal space) rg_reciprocal16.15 Å
I(0) (reciprocal space) i0_reciprocal6077000.0000
Solution quality estimate total_estimate0.8854
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary50.2 Å
Skewness Skewness skewness0.079
Kurtosis Kurtosis kurtosis-0.373
Angular range angular_range— – 0.4900 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1362000.0000
Real-space data points n_real_points79
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.989
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id3i1hA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology437 — Apoptosis Regulator Bcl-x
Homologous superfamily homologous superfamily10 — Blc2-like
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8. Citations (1)

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9. Files and Curves (10)