Current Protein Identity:Q16611 New Search
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
1BXL STRUCTURE OF BCL-XL/BAK PEPTIDE COMPLEX, NMR, MINIMIZED AVERAGE STRUCTURE Deposited 1996-10-16 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Insufficient information Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 3 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 5 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 6 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 5 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 6 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 6 PDB declaration: hexameric(6) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 6 PDB declaration: hexameric(6) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 10 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 5 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 6 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 7 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 8 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 9 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 24 PDB declaration: 24-meric(24) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
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 Assembly 1 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 1 Other combination Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
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 Assembly 1 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 2 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 3 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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 Assembly 4 Other combination Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
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