4s0o

Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (I)

Method: X-RAY DIFFRACTION D_max: 79.3 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Apoptosis regulator BAX

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–192 Chain B； UniProt 1–192	Mutation：P168G	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；1.6 M AMMONIUM SULFATE, 0.1 M BIS-TRIS , PH 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K	Resolution 1.90 Å R-free 0.265

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 4S0O	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1F16 SOLUTION STRUCTURE OF A PRO-APOPTOTIC PROTEIN BAX Deposited 2000-05-18	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–192（192 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；305 K；Ionic strength (raw mmCIF value) 10 mM；Pressure AMBIENT NMR sample composition 1MM BAX U-15N,13C; 10mM TRIS-ACETATE PH 6.0 2MM DTT	Resolution not provided
2K7W BAX Activation is Initiated at a Novel Interaction Site Deposited 2008-08-27	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–192（192 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；305 K；Ionic strength (raw mmCIF value) 50；Pressure ambient NMR sample composition 0.1-0.2 mM [U-99% 15N] protein, 0.1-0.2 mM peptide, 90% H2O/10%D20 \| 90% H2O/10%D20	Resolution not provided
2LR1 Structural Mechanism for Bax Inhibition by Cytomegalovirus Protein vMIA Deposited 2012-03-20	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–192（192 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.2；310 K；Ionic strength (raw mmCIF value) 50；Pressure ambient NMR sample composition 0.1 mM protein_1, 0.1 mM [U-100% 13C; U-100% 15N] protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.1 mM [U-100% 15N] protein_1, 0.1 mM protein_2, 20 mM potassium phosphate, 5 M [U-100% 2H] D2O, 50 M H2O, DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
3PK1 Crystal structure of Mcl-1 in complex with the BaxBH3 domain Deposited 2010-11-11	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 48–81（34 aa） Fragment：BH3 domain, UNP residues 48-81	Not recorded	CD CADMIUM ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1M Sodium Acetate, 0.1M Hepes, 25mM Cadmium Sulfate, 5mM TCEP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.49 Å R-free 0.245
3PK1 Crystal structure of Mcl-1 in complex with the BaxBH3 domain Deposited 2010-11-11	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 D 48–81（34 aa） Fragment：BH3 domain, UNP residues 48-81	Not recorded	CD CADMIUM ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1M Sodium Acetate, 0.1M Hepes, 25mM Cadmium Sulfate, 5mM TCEP, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.49 Å R-free 0.245
3PL7 Crystal structure of Bcl-xL in complex with the BaxBH3 domain Deposited 2010-11-14	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 48–81（34 aa） Fragment：BH3 domain, UNP residues 48-81	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；293 K；13% Peg 6000, 0.2M CaCl2, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, temperature 293K	Resolution 2.61 Å R-free 0.249
4BD2 Bax domain swapped dimer in complex with BidBH3 Deposited 2012-10-04	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–171（171 aa） Fragment：RESIDUES 1-171	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 1.4 M SODIUM CITRATE, 0.1 M SODIUM CACODYLATE PH 5.75	Resolution 2.21 Å R-free 0.227
4BD6 Bax domain swapped dimer in complex with BaxBH3 Deposited 2012-10-05	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 1–171（171 aa） Fragment：RESIDUES 1-171 Chain C 48–81（34 aa） Fragment：RESIDUES 48-81	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 1.4 M SODIUM CITRATE, 0.1 M SODIUM CACODYLATE PH 5.75	Resolution 2.49 Å R-free 0.285
4BD7 Bax domain swapped dimer induced by octylmaltoside Deposited 2012-10-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–171（171 aa） Fragment：RESIDUES 1-171 Chain B 1–171（171 aa） Fragment：RESIDUES 1-171	Mutation：YES Mutation：YES	PR PRASEODYMIUM ION × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions 1.8 M NH4SO4, 0.1 M HEPES PH 6.5, 10 MM PRCL3	Resolution 2.80 Å R-free 0.274
4BD7 Bax domain swapped dimer induced by octylmaltoside Deposited 2012-10-05	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 1–171（171 aa） Fragment：RESIDUES 1-171 Chain D 1–171（171 aa） Fragment：RESIDUES 1-171	Mutation：YES Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 1.8 M NH4SO4, 0.1 M HEPES PH 6.5, 10 MM PRCL3	Resolution 2.80 Å R-free 0.274
4BD8 Bax domain swapped dimer induced by BimBH3 with CHAPS Deposited 2012-10-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–171（171 aa） Fragment：RESIDUES 1-171 Chain B 1–171（171 aa） Fragment：RESIDUES 1-171	Mutation：YES Mutation：YES	PR PRASEODYMIUM ION × 2 EDO 1,2-ETHANEDIOL × 7	X-RAY DIFFRACTION X-ray crystallization conditions 1.8 M NH4SO4, 0.1 M HEPES PH 6.5, 10 MM PRCL3	Resolution 2.22 Å R-free 0.256
4BD8 Bax domain swapped dimer induced by BimBH3 with CHAPS Deposited 2012-10-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 1–171（171 aa） Fragment：RESIDUES 1-171 Chain D 1–171（171 aa） Fragment：RESIDUES 1-171	Mutation：YES Mutation：YES	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions 1.8 M NH4SO4, 0.1 M HEPES PH 6.5, 10 MM PRCL3	Resolution 2.22 Å R-free 0.256
4BDU Bax BH3-in-Groove dimer (GFP) Deposited 2012-10-08	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 53–128（76 aa） Fragment：BAX RESIDUES 53-128 Chain B 53–128（76 aa） Fragment：BAX RESIDUES 53-128	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 10% PEG3350, 20% MPD, 0.5% CHAPS, 0.1 M TRIS PH 8.0	Resolution 3.00 Å R-free 0.246
4BDU Bax BH3-in-Groove dimer (GFP) Deposited 2012-10-08	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain C 53–128（76 aa） Fragment：BAX RESIDUES 53-128 Chain D 53–128（76 aa） Fragment：BAX RESIDUES 53-128	Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 10% PEG3350, 20% MPD, 0.5% CHAPS, 0.1 M TRIS PH 8.0	Resolution 3.00 Å R-free 0.246
4S0P Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II) Deposited 2015-01-04	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–192（192 aa）	Mutation：G67R	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；1.6 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.25 Å R-free 0.270
4S0P Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (II) Deposited 2015-01-04	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–192（192 aa）	Mutation：G67R	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；1.6 M AMMONIUM SULFATE, 0.1 M BIS-TRIS, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.25 Å R-free 0.270
4UF2 Deerpox virus DPV022 in complex with Bax BH3 Deposited 2014-12-23	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 50–77（28 aa） Fragment：BH3, UNP RESIDUES 50-77	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；20% PEG 6000, 0.2M MES PH 6.0, 0,2M AMMONIUM SULPHATE.	Resolution 3.00 Å R-free 0.274
4ZIE Crystal Structure of core/latch dimer of Bax in complex with BimBH3 Deposited 2015-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–166（166 aa）	Mutation：C62S C126S	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；PEG6000, bicine	Resolution 1.80 Å R-free 0.229
4ZIF Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini Deposited 2015-04-28	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–166（166 aa）	Mutation：C62S C126S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Tri-sodium citrate, Sodium cacodylate	Resolution 2.40 Å R-free 0.255
4ZIG Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini Deposited 2015-04-28	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–166（166 aa）	Mutation：C62S, C126S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Tri-sodium citrate, Sodium cacodylate	Resolution 2.20 Å R-free 0.229
4ZIH Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini Deposited 2015-04-28	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–164（164 aa）	Mutation：C62S, C126S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Tri-sodium citrate, Sodium cacodylate	Resolution 2.50 Å R-free 0.233
4ZII Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 Deposited 2015-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–170（170 aa）	Mutation：C62S, C126S	EDO 1,2-ETHANEDIOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；Tri-sodium citrate, sodium cacodylate	Resolution 2.19 Å R-free 0.223
5W5X Crystal structure of BAXP168G in complex with an activating antibody Deposited 2017-06-16	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 A 1–192（192 aa）	Mutation：C62S C126S P168G	EDO 1,2-ETHANEDIOL × 9 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 4000, HEPES	Resolution 2.50 Å R-free 0.243
5W5X Crystal structure of BAXP168G in complex with an activating antibody Deposited 2017-06-16	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 A 1–192（192 aa）	Mutation：C62S C126S P168G	EDO 1,2-ETHANEDIOL × 18 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 4000, HEPES	Resolution 2.50 Å R-free 0.243
5W5Z Crystal structure of BAXP168G in complex with an activating antibody at high resolution Deposited 2017-06-16	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 A 32–192（161 aa） Fragment：UNP residues 32-192	Mutation：C62S C126S P168G	EDO 1,2-ETHANEDIOL × 3 PG4 TETRAETHYLENE GLYCOL × 2 PGE TRIETHYLENE GLYCOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Peg4000, MES	Resolution 2.00 Å R-free 0.268
5W60 Crystal structure of BAXP168G monomer cryo-protected with ethylene glycol Deposited 2017-06-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–192（192 aa）	Mutation：C62S C126S P168G	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Ammonium sulfate, TRIS	Resolution 1.80 Å R-free 0.238
5W61 Crystal structure of BAXP168G monomer co-crystallized with glycerol Deposited 2017-06-16	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–192（192 aa）	Mutation：C62S C126S P168G	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Ammonium sulfate, bis-TRIS, glycerol	Resolution 2.30 Å R-free 0.252
6EB6 Crystal structure of BAX W139A monomer Deposited 2018-08-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–192（192 aa）	Mutation：W139A	FMT FORMIC ACID × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；Sodium formate, TCEP	Resolution 2.02 Å R-free 0.201
6L8V membrane-bound Bax helix2-helix5 domain Deposited 2019-11-07	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 53–128（76 aa） Chain B 53–128（76 aa）	Mutation：C62S, C126S Mutation：C62S, C126S	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；305 K；Ionic strength (raw mmCIF value) 100；Pressure 1 NMR sample composition 0.5 mM U-98% 15N;U-98% 13C;U-98% 2H human Bax core domain, 100 mM DMPC, 140 mM DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6 mM U-98% 15N;U-98% 13C Bax a_2_a_5, 100 mM [U-2H] DMPC, 160 mM [U-2H] DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.4 mM U-98% 15N;U-2H Bax a_2_a_5, 120 mM [U-2H] DMPC, 200 mM [U-2H] DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6 mM U-98% 15N;U-2H Bax a_2_a_5, 100 mM DMPC, 160 mM [U-2H] DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.4 mM U-98% 15N;U-15% 13C Bax a_2_a_5, 80 mM DMPC, 140 mM DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.4 mM U-98% 13C Bax a_2_a_5, 120 mM [U-2H] DMPC, 200 mM [U-2H] DHPC, 10 mM MES, 100 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
6L95 transmembrane-domain of Bax Deposited 2019-11-08	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 166–192（27 aa） Chain B 166–192（27 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 150；Pressure 1 NMR sample composition 0.6 mM [U-98% 15N;U-98% 13C;U-98% 2H] human bax helix9, 0.1 % DPC, 25 mM HEPES, 150 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6 mM [U-98% 15N;U-98% 13C] human bax helix9, 0.1 % [U-2H] DPC, 25 mM HEPES, 150 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.3 mM [U-98% 15N;U-2H] human bax helix9, 0.1 % [U-2H] DPC, 25 mM HEPES, 150 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.4 mM [U-98% 15N;U-15% 13C] human bax helix9, 0.1 % DPC, 25 mM HEPES, 150 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.3 mM [U-98% 13C] human bax helix9, 0.1 % [U-2H] DPC, 25 mM HEPES, 150 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
6TRR Structural insight into tanapoxvirus mediated inhibition of apoptosis Deposited 2019-12-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 50–77（28 aa）	Not recorded	NA SODIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium Chloride, 0.1 M Citrate pH 4.0 20% PEG 6000	Resolution 2.12 Å R-free 0.254
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain J 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain L 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain N 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
6XY6 Structural insight into sheep-pox virus mediated inhibition of apoptosis Deposited 2020-01-29	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain P 50–77（28 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；1.0 M Lithium chloride, 0.1 M Citrate pH 4.0, 20% w/vPEG 6000	Resolution 2.91 Å R-free 0.288
7ADT Orf virus Apoptosis inhibitor ORFV125 Deposited 2020-09-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 50–77（28 aa） Chain U 50–77（28 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 7 GOL GLYCEROL × 2 MG MAGNESIUM ION × 41	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Bis-Tris pH 5.5, 25% PEG 3350	Resolution 2.21 Å R-free 0.259
8G1T Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 Deposited 2023-02-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 53–128（76 aa） Chain B 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.44 M sodium citrate, 0.01 M TCEP	Resolution 2.09 Å R-free 0.248
8G1T Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 Deposited 2023-02-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 53–128（76 aa） Chain D 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.44 M sodium citrate, 0.01 M TCEP	Resolution 2.09 Å R-free 0.248
8G1T Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 Deposited 2023-02-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain E 53–128（76 aa） Chain F 53–128（76 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.44 M sodium citrate, 0.01 M TCEP	Resolution 2.09 Å R-free 0.248
8G1T Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 Deposited 2023-02-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain G 53–128（76 aa） Chain H 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；1.44 M sodium citrate, 0.01 M TCEP	Resolution 2.09 Å R-free 0.248
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 53–128（76 aa） Chain B 53–128（76 aa） Chain C 53–128（76 aa） Chain D 53–128（76 aa）	Not recorded	ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain Q 53–128（76 aa） Chain R 53–128（76 aa） Chain S 53–128（76 aa） Chain T 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain G 53–128（76 aa） Chain H 53–128（76 aa） Chain U 53–128（76 aa） Chain V 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain E 53–128（76 aa） Chain F 53–128（76 aa） Chain I 53–128（76 aa） Chain J 53–128（76 aa）	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain K 53–128（76 aa） Chain L 53–128（76 aa） Chain M 53–128（76 aa） Chain N 53–128（76 aa）	Not recorded	ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 6 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain O 53–128（76 aa） Chain P 53–128（76 aa） Chain W 53–128（76 aa） Chain X 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 7 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain Y 53–128（76 aa） Chain Z 53–128（76 aa） Chain a 53–128（76 aa） Chain b 53–128（76 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain c 53–128（76 aa） Chain d 53–128（76 aa） Chain e 53–128（76 aa） Chain f 53–128（76 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPE Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain g 53–128（76 aa） Chain h 53–128（76 aa） Chain i 53–128（76 aa） Chain j 53–128（76 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M NaMES pH 5.6, 27% PEG MME550, 0.01 M Zinc sulfate	Resolution 2.30 Å R-free 0.256
8SPF Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC Deposited 2023-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 53–128（76 aa） Chain B 53–128（76 aa） Chain C 53–128（76 aa） Chain D 53–128（76 aa） Chain E 53–128（76 aa） Chain F 53–128（76 aa）	Not recorded	1GP SN-GLYCEROL-1-PHOSPHATE × 1 EDO 1,2-ETHANEDIOL × 5 OCT N-OCTANE × 1 D12 DODECANE × 1 DD9 nonane × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M Hepes pH 7.5, 1.4 M trisodium citrate	Resolution 2.20 Å R-free 0.305
8SPZ Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine Deposited 2023-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 53–128（76 aa） Chain B 53–128（76 aa）	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.09 M DL maleate-MES-Tris pH 7, 2.25 M ammonium sulfate, 0.1 M trisodium citrate	Resolution 2.40 Å R-free 0.341
8SPZ Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine Deposited 2023-05-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 53–128（76 aa） Chain D 53–128（76 aa）	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.09 M DL maleate-MES-Tris pH 7, 2.25 M ammonium sulfate, 0.1 M trisodium citrate	Resolution 2.40 Å R-free 0.341
8SRX Crystal structure of BAK-BAX heterodimer with lysoPC Deposited 2023-05-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 53–128（76 aa） Chain D 53–128（76 aa）	Not recorded	K6G [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate × 3 ZN ZINC ION × 1 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；281 K；0.1 M Bis-tris chloride pH 5.5, 25% PEG 3350, 200 mM sodium acetate	Resolution 2.09 Å R-free 0.265
8SRY Crystal structure of BAK-BAX heterodimer with C12E8 Deposited 2023-05-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 53–128（76 aa） Chain D 53–128（76 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
8SVK Crystal structure of Bax D71N core domain BH3-groove dimer Deposited 2023-05-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 53–128（76 aa） Chain B 53–128（76 aa）	Mutation：C62S, D71N, C126S Mutation：C62S, D71N, C126S	PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M sodium citrate, 20% PEG 3350	Resolution 2.25 Å R-free 0.287
8SVK Crystal structure of Bax D71N core domain BH3-groove dimer Deposited 2023-05-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 53–128（76 aa） Chain D 53–128（76 aa）	Mutation：C62S, D71N, C126S Mutation：C62S, D71N, C126S	PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1 PG4 TETRAETHYLENE GLYCOL × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M sodium citrate, 20% PEG 3350	Resolution 2.25 Å R-free 0.287
9IXU Overall reconstruction of the Bax line Deposited 2024-07-29	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–192（192 aa） Chain B 1–192（192 aa） Chain C 1–192（192 aa） Chain D 1–192（192 aa） Chain E 1–192（192 aa） Chain F 1–192（192 aa） Chain G 1–192（192 aa） Chain H 1–192（192 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.19 Å

35 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	BAX_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–192； UniProt 1–192 Author chain B； PDBConstruct 1–192； UniProt 1–192

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

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4s0o
Deposition date deposition_date	2015-01-02
Structure title title	Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (I)
Keywords keywords	BCL-2 FAMILY PROTEIN, APOPTOSIS REGULATOR, AUTOINHIBITED DIMER, APOPTOSIS; APOPTOSIS
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	23.33 Å
Radius of gyration Rg (electron density) rg_electron	22.34 Å
Forward intensity I(0) i0	24570200.00
Molecular weight molecular_weight	39130.0 kDa
Excluded volume excluded_volume	49587 Å³
Envelope volume envelope_volume	58912 Å³
Hydration-shell volume shell_volume	22560 Å³
Envelope diameter envelope_diameter	80.7 Å
Shell Rg shell_rg	28.80 Å
Envelope Rg envelope_rg	22.65 Å
Shape Rg shape_rg	22.31 Å
Total Rg total_rg	23.32 Å
Total atoms total_atoms	2754
Residues n_residues	351
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	79.3 Å
Rg (real space) rg_real	23.37 Å
Rg uncertainty (real space) rg_real_error	0.55 Å
I(0) (real space) i0_real	2.4570e+07
I(0) uncertainty (real space) i0_real_error	3.8900e+05
Rg (reciprocal space) rg_reciprocal	23.36 Å
I(0) (reciprocal space) i0_reciprocal	24570000.0000
Solution quality estimate total_estimate	0.8631
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.6 Å
Skewness Skewness skewness	0.436
Kurtosis Kurtosis kurtosis	-0.276
Angular range angular_range	— – 0.3400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	9765000.0000
Real-space data points n_real_points	66
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.759; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.968; Smooth: 0.972

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4s0oa_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.1 — Toxins' membrane translocation domains
Superfamily Superfamily superfamily	f.1.4 — Bcl-2 inhibitors of programmed cell death
Family Family family	f.1.4.1 — Bcl-2 inhibitors of programmed cell death

Domain ID domain_id	d4s0ob_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.1 — Toxins' membrane translocation domains
Superfamily Superfamily superfamily	f.1.4 — Bcl-2 inhibitors of programmed cell death
Family Family family	f.1.4.1 — Bcl-2 inhibitors of programmed cell death

CATH v4.4 (2 domains)

Domain ID domain_id	4s0oA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	437 — Apoptosis Regulator Bcl-x
Homologous superfamily homologous superfamily	10 — Blc2-like

Domain ID domain_id	4s0oB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	437 — Apoptosis Regulator Bcl-x
Homologous superfamily homologous superfamily	10 — Blc2-like

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8. Citations (1)

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Unit-cell length a length_a	63.657 Å
Unit-cell length b length_b	40.276 Å
Unit-cell length c length_c	65.303 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.02 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	19.150 Å
R factor r_factor	0.2120
R_work r_work	0.2090
R_free r_free	0.2650

Description description	Apoptosis regulator BAX
Molecular weight formula_weight	21164.3 kDa
Mutation mutation	P168G
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2878

Crystal Structure of the Autoinhibited Dimer of Pro-apoptotic BAX (I)

1. Protein Identity and Related Structures Protein Identity & Related Structures

Apoptosis regulator BAX

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	124

fit	/app/data/saxs_computation/s0/4s0o/4s0o.fit
pddf	/app/data/pr_computation/s0/4s0o/4s0o.pr.out
profile	/app/data/saxs_computation/s0/4s0o/4s0o.dat