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3s3d

Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization

Method: X-RAY DIFFRACTION Dmax: 87.5 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Cytochrome c oxidase subunit 1

Thermus thermophilus

UniProt Q5SJ79

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 2–562 Not recorded Cytochrome c oxidase subunit 2 × 1 （Q5SJ80） Cytochrome c oxidase polypeptide 2A × 1 （P82543） CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K Resolution 3.75 Å R-free 0.293

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 3S3D Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1EHK CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS Deposited 2000-02-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 1–562（562 aa） Fragment：SUBUNIT I
Not recorded BNG nonyl beta-D-glucopyranoside × 3 CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG 2000, Bis-Tris buffer, nonyl-beta-D-glucoside, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.264
2QPD An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.25 Å R-free 0.307
2QPE An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris, pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.90 Å R-free 0.302
3BVD Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min Deposited 2008-01-07 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：K258R CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 7 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；297 K；6-9% PEG 2000, 50mM KCl, 7.5-30mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside , VAPOR DIFFUSION, temperature 297K
Resolution 3.37 Å R-free 0.336
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa） Fragment：UNP residues 6-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–562（561 aa） Fragment：UNP residues 6-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa） Fragment：UNP residues 2-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 BNG nonyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–562（561 aa） Fragment：UNP residues 2-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa） Fragment：UNP residues 2-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 BNG nonyl beta-D-glucopyranoside × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–562（561 aa） Fragment：UNP residues 2-562
Mutation：K258R CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 BNG nonyl beta-D-glucopyranoside × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3QJQ The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.284
3QJR The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.20 Å R-free 0.367
3QJS The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.265
3QJT The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.95 Å R-free 0.323
3QJU The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.329
3QJV The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.274
3S33 Structure of Thermus thermophilus cytochrome ba3 oxidase 10s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 5 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.45 Å R-free 0.350
3S38 Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.20 Å R-free 0.325
3S39 Structure of Thermus thermophilus cytochrome ba3 oxidase 60s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.80 Å R-free 0.341
3S3A Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization Deposited 2011-05-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.25 Å R-free 0.330
3S3B Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 3.30 Å R-free 0.299
3S3C Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.00 Å R-free 0.373
3S8F 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.215
3S8G 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 20 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.196
4FA7 Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus Deposited 2012-05-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A204F CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.50 Å R-free 0.220
4FAA Structure of Recombinant Cytochrome ba3 Oxidase mutant A120F+A204F from Thermus thermophilus Deposited 2012-05-21 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：Y120F,204F CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.254
4G70 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236T from Thermus thermophilus Deposited 2012-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236T HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.252
4G71 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236N from Thermus thermophilus Deposited 2012-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236N CUB CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.90 Å R-free 0.224
4G72 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236M from Thermus thermophilus Deposited 2012-07-19 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236M CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 3.19 Å R-free 0.223
4G7Q Structure of Recombinant Cytochrome ba3 Oxidase mutant V236L from Thermus thermophilus Deposited 2012-07-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236L CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.232
4G7R Structure of Recombinant Cytochrome ba3 Oxidase mutant V236A from Thermus thermophilus Deposited 2012-07-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236A CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.05 Å R-free 0.231
4G7S Structure of Recombinant Cytochrome ba3 Oxidase mutant V236I from Thermus thermophilus Deposited 2012-07-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：A120F, V236I CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.00 Å R-free 0.207
4GP4 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus Deposited 2012-08-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：Y133F CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4GP5 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus Deposited 2012-08-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：Y133W CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.70 Å R-free 0.230
4GP8 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus Deposited 2012-08-20 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：Y133W, T231F CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4N4Y Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus Deposited 2013-10-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Mutation：G232V CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50 mM sodium cacodylate, pH 6.5, 1.6 M sodium chloride, 40% PEG400, LIPIDIC CUBIC PHASE, temperature 293K
Resolution 2.90 Å R-free 0.225
5NDC Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography Deposited 2017-03-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；100mM sodium cacodylate trihydrate pH 5.3, 37% PEG400, 1.4M NaCl Room temperature for 2-3 days
Resolution 2.30 Å R-free 0.197
8AJZ Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser Deposited 2022-07-29 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；100 mM 2-Morpholinoethanesulfonic acid, 34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.210
8HUA Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell Deposited 2022-12-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES pH 5.3 with 36 % to 39 % (v/v) PEG 400
Resolution 2.12 Å R-free 0.184
8K65 Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation Deposited 2023-07-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.196
8K6Y Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method Deposited 2023-07-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.435
9GDF Chloride bound structure of oxidized ba3-type cytochrome c oxidase confirmed by single-wavelength anomalous diffraction Deposited 2024-08-05 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CL CHLORIDE ION × 2 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES. 40-43 % (v/v) PEG 400
Resolution 2.28 Å R-free 0.197
9VDJ Serial synchrotron crystallography structure of a ba3-type cytochrome c oxidase using a goniometer-compatible chip-based platform Deposited 2025-06-08 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 2–562（561 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；0.1M MES (pH 5.3), 1.4M NaCl, 39-41% PEG 400
Resolution 2.30 Å R-free 0.264

40 other PDB entries and 43 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name COX1_THET8
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 8–568； UniProt 2–562

Cytochrome c oxidase subunit 2

Thermus thermophilus

UniProt Q5SJ80

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain B； UniProt 3–168 Not recorded Cytochrome c oxidase subunit 1 × 1 （Q5SJ79） Cytochrome c oxidase polypeptide 2A × 1 （P82543） CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K Resolution 3.75 Å R-free 0.293

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 3S3D Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1EHK CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS Deposited 2000-02-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa） Fragment：SUBUNIT II
Not recorded BNG nonyl beta-D-glucopyranoside × 3 CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG 2000, Bis-Tris buffer, nonyl-beta-D-glucoside, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.264
2QPD An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.25 Å R-free 0.307
2QPE An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Mutation：E4Q CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris, pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.90 Å R-free 0.302
3BVD Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min Deposited 2008-01-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Mutation：E4Q CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 7 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；297 K；6-9% PEG 2000, 50mM KCl, 7.5-30mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside , VAPOR DIFFUSION, temperature 297K
Resolution 3.37 Å R-free 0.336
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 BNG nonyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 BNG nonyl beta-D-glucopyranoside × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3–168（166 aa） Fragment：UNP residues 3-168
Mutation：E4Q CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3QJQ The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.284
3QJR The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.20 Å R-free 0.367
3QJS The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.265
3QJT The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.95 Å R-free 0.323
3QJU The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.329
3QJV The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.274
3S33 Structure of Thermus thermophilus cytochrome ba3 oxidase 10s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 5 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.45 Å R-free 0.350
3S38 Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.20 Å R-free 0.325
3S39 Structure of Thermus thermophilus cytochrome ba3 oxidase 60s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.80 Å R-free 0.341
3S3A Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization Deposited 2011-05-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.25 Å R-free 0.330
3S3B Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 3.30 Å R-free 0.299
3S3C Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 3–168（166 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.00 Å R-free 0.373
3S8F 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.215
3S8G 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 20 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.196
4FA7 Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus Deposited 2012-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.50 Å R-free 0.220
4FAA Structure of Recombinant Cytochrome ba3 Oxidase mutant A120F+A204F from Thermus thermophilus Deposited 2012-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.254
4G70 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236T from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.252
4G71 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236N from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CUB CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.90 Å R-free 0.224
4G72 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236M from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 3.19 Å R-free 0.223
4G7Q Structure of Recombinant Cytochrome ba3 Oxidase mutant V236L from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.232
4G7R Structure of Recombinant Cytochrome ba3 Oxidase mutant V236A from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.05 Å R-free 0.231
4G7S Structure of Recombinant Cytochrome ba3 Oxidase mutant V236I from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.00 Å R-free 0.207
4GP4 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4GP5 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.70 Å R-free 0.230
4GP8 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4N4Y Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus Deposited 2013-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50 mM sodium cacodylate, pH 6.5, 1.6 M sodium chloride, 40% PEG400, LIPIDIC CUBIC PHASE, temperature 293K
Resolution 2.90 Å R-free 0.225
5NDC Structure of ba3-type cytochrome c oxidase from Thermus thermophilus by serial femtosecond crystallography Deposited 2017-03-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；100mM sodium cacodylate trihydrate pH 5.3, 37% PEG400, 1.4M NaCl Room temperature for 2-3 days
Resolution 2.30 Å R-free 0.197
8AJZ Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser Deposited 2022-07-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；100 mM 2-Morpholinoethanesulfonic acid, 34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.210
8HUA Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell Deposited 2022-12-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES pH 5.3 with 36 % to 39 % (v/v) PEG 400
Resolution 2.12 Å R-free 0.184
8K65 Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation Deposited 2023-07-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.196
8K6Y Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method Deposited 2023-07-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.435
9GDF Chloride bound structure of oxidized ba3-type cytochrome c oxidase confirmed by single-wavelength anomalous diffraction Deposited 2024-08-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CL CHLORIDE ION × 2 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES. 40-43 % (v/v) PEG 400
Resolution 2.28 Å R-free 0.197
9VDJ Serial synchrotron crystallography structure of a ba3-type cytochrome c oxidase using a goniometer-compatible chip-based platform Deposited 2025-06-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–168（168 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；0.1M MES (pH 5.3), 1.4M NaCl, 39-41% PEG 400
Resolution 2.30 Å R-free 0.264

40 other PDB entries and 43 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name COX2_THET8
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 1–166； UniProt 3–168

Cytochrome c oxidase polypeptide 2A

Thermus thermophilus

UniProt P82543

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 2–34 Not recorded Cytochrome c oxidase subunit 1 × 1 （Q5SJ79） Cytochrome c oxidase subunit 2 × 1 （Q5SJ80） CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K Resolution 3.75 Å R-free 0.293

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 3S3D Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1EHK CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS Deposited 2000-02-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa） Fragment：SUBUNIT IIA
Not recorded BNG nonyl beta-D-glucopyranoside × 3 CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；PEG 2000, Bis-Tris buffer, nonyl-beta-D-glucoside, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.40 Å R-free 0.264
1XME Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus Deposited 2004-10-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded BNG nonyl beta-D-glucopyranoside × 1 CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 GOL GLYCEROL × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.30 Å R-free 0.236
2QPD An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.25 Å R-free 0.307
2QPE An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2007-07-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris, pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 2.90 Å R-free 0.302
3BVD Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min Deposited 2008-01-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 7 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；297 K；6-9% PEG 2000, 50mM KCl, 7.5-30mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside , VAPOR DIFFUSION, temperature 297K
Resolution 3.37 Å R-free 0.336
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH3 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.10 Å R-free 0.300
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CUA DINUCLEAR COPPER ION × 1 BNG nonyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH4 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded BNG nonyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.268
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 BNG nonyl beta-D-glucopyranoside × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3EH5 Structure of the reduced form of cytochrome ba3 oxidase from Thermus thermophilus Deposited 2008-09-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–34（33 aa） Fragment：UNP residues 2-34
Not recorded BNG nonyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.257
3QJQ The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.284
3QJR The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 3.20 Å R-free 0.367
3QJS The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.265
3QJT The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside , VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.95 Å R-free 0.323
3QJU The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.90 Å R-free 0.329
3QJV The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus Deposited 2011-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU1 COPPER (I) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；297 K；7% PEK 2K, 50 mM KCl, 20 mM Bis-Tris pH 7.0, 6.5 mM n-nonyl-beta-D-glucopyranoside, VAPOR DIFFUSION, SITTING DROP, temperature 297K
Resolution 2.80 Å R-free 0.274
3S33 Structure of Thermus thermophilus cytochrome ba3 oxidase 10s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 5 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.45 Å R-free 0.350
3S38 Structure of Thermus thermophilus cytochrome ba3 oxidase 30s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.20 Å R-free 0.325
3S39 Structure of Thermus thermophilus cytochrome ba3 oxidase 60s after Xe depressurization Deposited 2011-05-17 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.80 Å R-free 0.341
3S3A Structure of Thermus thermophilus cytochrome ba3 oxidase 120s after Xe depressurization Deposited 2011-05-18 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 4 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.25 Å R-free 0.330
3S3B Structure of Thermus thermophilus cytochrome ba3 oxidase 240s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 3.30 Å R-free 0.299
3S3C Structure of Thermus thermophilus cytochrome ba3 oxidase 360s after Xe depressurization Deposited 2011-05-18 Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–34（33 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 XE XENON × 3 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；297 K；12-17% PEG 2000, 0-200mM KCl, 15-60mM bis-Tris pH 7.0, 6.5mM nonyl-B-D-glucopyranoside, vapor diffusion, hanging drop, temperature 297K
Resolution 4.00 Å R-free 0.373
3S8F 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.215
3S8G 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment Deposited 2011-05-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 20 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；40-45% PEG 400, 1.0-1.6M NaCl, 100mM sodium cacodylate trihydrate pH 5.5-6.5, lipidic cubic phase with monolein, temperature 293K
Resolution 1.80 Å R-free 0.196
4FA7 Structure of Recombinant Cytochrome ba3 Oxidase mutant A204F from Thermus thermophilus Deposited 2012-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.50 Å R-free 0.220
4FAA Structure of Recombinant Cytochrome ba3 Oxidase mutant A120F+A204F from Thermus thermophilus Deposited 2012-05-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.254
4G70 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236T from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 CU COPPER (II) ION × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.252
4G71 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236N from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CUB CU(I)-S-MO(IV)(=O)O-NBIC CLUSTER × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.90 Å R-free 0.224
4G72 Structure of Recombinant Cytochrome ba3 Oxidase mutant V236M from Thermus thermophilus Deposited 2012-07-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 3.19 Å R-free 0.223
4G7Q Structure of Recombinant Cytochrome ba3 Oxidase mutant V236L from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.60 Å R-free 0.232
4G7R Structure of Recombinant Cytochrome ba3 Oxidase mutant V236A from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.05 Å R-free 0.231
4G7S Structure of Recombinant Cytochrome ba3 Oxidase mutant V236I from Thermus thermophilus Deposited 2012-07-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate PH 6.5, 1.6M NaCl, 40% PEG400 , Lipidic Cubic Phase, temperature 293K
Resolution 2.00 Å R-free 0.207
4GP4 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133F from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4GP5 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.70 Å R-free 0.230
4GP8 Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W+T231F from Thermus thermophilus Deposited 2012-08-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PER PEROXIDE ION × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50mM Sodium Cacodylate, 1.6M NaCl, 40% PEG400, pH 6.5, Lipidic Cubic Phase, temperature 293K
Resolution 2.80 Å R-free 0.227
4N4Y Structure of Recombinant Cytochrome ba3 Oxidase mutant G232V from Thermus thermophilus Deposited 2013-10-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 PEO HYDROGEN PEROXIDE × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 16 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 6.5；293 K；50 mM sodium cacodylate, pH 6.5, 1.6 M sodium chloride, 40% PEG400, LIPIDIC CUBIC PHASE, temperature 293K
Resolution 2.90 Å R-free 0.225
8HUA Serial synchrotron crystallography structure of ba3-type cytochrome c oxidase from Thermus thermophilus using a goniometer compatible flow-cell Deposited 2022-12-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES pH 5.3 with 36 % to 39 % (v/v) PEG 400
Resolution 2.12 Å R-free 0.184
8K65 Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation Deposited 2023-07-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.196
8K6Y Serial femtosecond crystallography structure of photo dissociated CO from ba3- type cytochrome c oxidase determined by extrapolation method Deposited 2023-07-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CMO CARBON MONOXIDE × 1 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；293 K；34-38 % PEG 400 (v/v), 1.4 M NaCl, pH 5.3
Resolution 2.00 Å R-free 0.435
9GDF Chloride bound structure of oxidized ba3-type cytochrome c oxidase confirmed by single-wavelength anomalous diffraction Deposited 2024-08-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CL CHLORIDE ION × 2 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；pH 5.3；298 K；1.4 M NaCl, 100 mM MES. 40-43 % (v/v) PEG 400
Resolution 2.28 Å R-free 0.197
9VDJ Serial synchrotron crystallography structure of a ba3-type cytochrome c oxidase using a goniometer-compatible chip-based platform Deposited 2025-06-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 1–34（34 aa）
Not recorded CU COPPER (II) ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 HAS HEME-AS × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 15 CUA DINUCLEAR COPPER ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions LIPIDIC CUBIC PHASE；293 K；0.1M MES (pH 5.3), 1.4M NaCl, 39-41% PEG 400
Resolution 2.30 Å R-free 0.264

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View Construct and Data Evidence
UniProt name COXA_THET8
Isoform —
PDB entities 3
Chains and sequence ranges Author chain C； PDBConstruct 1–33； UniProt 2–34

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

SAXS scattering curve SAXS Profile

SAXS profile for 3s3d

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3s3d
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3s3d
Deposition date deposition_date2011-05-18
Structure title titleStructure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization
Keywords keywordsoxidoreductase, xenon; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier26.98 Å
Radius of gyration Rg (electron density) rg_electron25.75 Å
Forward intensity I(0) i093340100.00
Molecular weight molecular_weight85881.0 kDa
Excluded volume excluded_volume111180 ų
Envelope volume envelope_volume121700 ų
Hydration-shell volume shell_volume37621 ų
Envelope diameter envelope_diameter94.1 Å
Shell Rg shell_rg34.72 Å
Envelope Rg envelope_rg26.30 Å
Shape Rg shape_rg25.76 Å
Total Rg total_rg26.65 Å
Total atoms total_atoms6063
Residues n_residues754
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax87.5 Å
Rg (real space) rg_real26.92 Å
Rg uncertainty (real space) rg_real_error0.64 Å
I(0) (real space) i0_real9.3340e+07
I(0) uncertainty (real space) i0_real_error1.3200e+06
Rg (reciprocal space) rg_reciprocal26.94 Å
I(0) (reciprocal space) i0_reciprocal93340000.0000
Solution quality estimate total_estimate0.8103
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary32.6 Å
Skewness Skewness skewness0.336
Kurtosis Kurtosis kurtosis-0.264
Angular range angular_range— – 0.2950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha23640000.0000
Real-space data points n_real_points60
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.844; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

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7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

Domain ID domain_id3s3dA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology210 — Cytochrome C Oxidase; Chain A
Homologous superfamily homologous superfamily10 — Cytochrome c oxidase-like, subunit I domain
Domain ID domain_id3s3dB01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1070 — Rhopdopsin 7-helix transmembrane proteins
Homologous superfamily homologous superfamily10 — Rhodopsin 7-helix transmembrane proteins
Domain ID domain_id3s3dB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily420 — Cupredoxins - blue copper proteins
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8. Citations (1)

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9. Files and Curves (10)