Bcl-2 homologous antagonist/killer
Homo sapiens
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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count | Chain A； UniProt 23–186 Chain C； UniProt 23–186 | Fragment：UNP residues 23-186 Mutation：C166S | Bcl-2-like protein 11 × 2 （O43521） 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 |
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 5VX0 | 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 mutation/modification Different oligomeric state 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：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 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）
|
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 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 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 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
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 oligomeric state 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state 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 |
| 3I1H Crystal structure of human BFL-1 in complex with BAK BH3 peptide Deposited 2009-06-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion 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
|
Not recorded | No recorded non-water small molecule |
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 |
| 3QBR BakBH3 in complex with sjA Deposited 2011-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state 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 mutation/modification Different ligand/ion 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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
23–186（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 mutation/modification 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 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 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 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 mutation/modification 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 oligomeric state 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 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 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 mutation/modification 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 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 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 |
| 5VX1 Bak L100A Deposited 2017-05-23 | 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
23–186（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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state 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 | 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state Different ligand/ion 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 oligomeric state 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）
|
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 oligomeric state 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）
|
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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state 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）
|
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 ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state 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
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 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 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 mutation/modification 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 mutation/modification 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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 oligomeric state Different ligand/ion 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 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
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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 7–170； UniProt 23–186 Author chain C； PDBConstruct 7–170； UniProt 23–186 |
