1xme

Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus

Method: X-RAY DIFFRACTION D_max: 91.0 Å Quality: GOOD

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

Cytochrome c oxidase polypeptide I

Thermus thermophilus

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 polypeptide II × 1 （P98052） Cytochrome c oxidase polypeptide IIA × 1 （P82543） 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

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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	COX1_THETH
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 8–568； UniProt 2–562

Cytochrome c oxidase polypeptide II

Thermus thermophilus

UniProt P98052

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 1–168	Not recorded	Cytochrome c oxidase polypeptide I × 1 （Q56408） Cytochrome c oxidase polypeptide IIA × 1 （P82543） 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

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 1XME	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2CUA THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS Deposited 1999-02-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 34–168（135 aa） Fragment：SOLUBLE CUA-CONTAINING DOMAIN	Not recorded	ZN ZINC ION × 1 CUA DINUCLEAR COPPER ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；0.2-20% MPEG 5K 100MM NA CACODYLATE PH 6.5 1MM ZNCL2	Resolution 1.60 Å R-free 0.296
2CUA THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS Deposited 1999-02-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 34–168（135 aa） Fragment：SOLUBLE CUA-CONTAINING DOMAIN	Not recorded	ZN ZINC ION × 1 CUA DINUCLEAR COPPER ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；0.2-20% MPEG 5K 100MM NA CACODYLATE PH 6.5 1MM ZNCL2	Resolution 1.60 Å R-free 0.296
2FWL The cytochrome c552/CuA complex from Thermus thermophilus Deposited 2006-02-02	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–135（135 aa）	Not recorded	HEC HEME C × 1 CUA DINUCLEAR COPPER ION × 1	SOLUTION NMR NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 20mM phosphate buffer；Pressure ambient NMR sample composition 0.5mM cytochrome c552 U-15N, 20mM phosphate buffer, 2mM CuA domain, 95% H2O, 5% D2O \| 95% H2O/5% D2O NMR sample composition 0.5mM CuA domain U-15N, 20mM phosphate buffer, 2mM cytochrome c552, 95% H2O, 5% D2O \| 95% H2O/5% D2O	Resolution not provided
2LLN Solution structure of Thermus thermophilus apo-CuA Deposited 2011-11-15	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 11–135（125 aa） Fragment：UNP residues 11-135	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient NMR sample composition 0.8 -1 mM [U-99% 13C; U-99% 15N] protein, 100 mM potassium phosphate, 2 mM DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.8 -1 mM [U-99% 15N] protein, 100 mM potassium phosphate, 2 mM DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.8 - 1 mM protein, 100 mM potassium phosphate, 2 mM DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain A 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain B 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	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 C 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain C 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain D 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain E 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain F 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain G 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain G 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
5U7N CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP Deposited 2016-12-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain H 11–116（106 aa） Fragment：UNP residues 11-116,127-135 Chain H 127–135（9 aa） Fragment：UNP residues 11-116,127-135	Not recorded	CU COPPER (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295 K；60 % (4S)-2-METHYL-2,4-PENTANEDIOL	Resolution 2.30 Å R-free 0.226
6PTT Soluble model of Arabidopsis thaliana CuA (Tt3LAt) Deposited 2019-07-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 11–135（125 aa）	Not recorded	CUA DINUCLEAR COPPER ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；100 mM Hepes, 1.5 M LiSO4, pH 7.5	Resolution 1.84 Å R-free 0.214
6PTT Soluble model of Arabidopsis thaliana CuA (Tt3LAt) Deposited 2019-07-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 11–135（125 aa）	Not recorded	CUA DINUCLEAR COPPER ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；100 mM Hepes, 1.5 M LiSO4, pH 7.5	Resolution 1.84 Å R-free 0.214
6PTY Soluble model of human CuA (Tt3Lh) Deposited 2019-07-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 11–135（125 aa）	Not recorded	CUA DINUCLEAR COPPER ION × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；100 mM Hepes, 1.6 M (NH4)2SO4, 0.1 mM NaCl, pH 7.5	Resolution 1.98 Å R-free 0.238
6PTY Soluble model of human CuA (Tt3Lh) Deposited 2019-07-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 11–135（125 aa）	Not recorded	CUA DINUCLEAR COPPER ION × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；291 K；100 mM Hepes, 1.6 M (NH4)2SO4, 0.1 mM NaCl, pH 7.5	Resolution 1.98 Å R-free 0.238

6 other PDB entries and 16 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	COX2_THETH
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–168； UniProt 1–168

Cytochrome c oxidase polypeptide IIA

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 1–34	Not recorded	Cytochrome c oxidase polypeptide I × 1 （Q56408） Cytochrome c oxidase polypeptide II × 1 （P98052） 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

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 1XME	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
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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）	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 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）	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 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）	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 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）	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 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）	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 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）	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
3S3D Structure of Thermus thermophilus cytochrome ba3 oxidase 480s after Xe depressurization Deposited 2011-05-18	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）	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 3.75 Å R-free 0.293
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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

39 other PDB entries and 42 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	COXA_THET8
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–34； UniProt 1–34

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

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1xme
Deposition date deposition_date	2004-10-01
Structure title title	Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus
Keywords keywords	cytochrome oxidase, heme, heme-as, integral membrane protein, oxidoreductase; OXIDOREDUCTASE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	27.17 Å
Radius of gyration Rg (electron density) rg_electron	25.84 Å
Forward intensity I(0) i0	92088400.00
Molecular weight molecular_weight	86100.0 kDa
Excluded volume excluded_volume	111860 Å³
Envelope volume envelope_volume	121830 Å³
Hydration-shell volume shell_volume	37641 Å³
Envelope diameter envelope_diameter	94.5 Å
Shell Rg shell_rg	34.72 Å
Envelope Rg envelope_rg	26.31 Å
Shape Rg shape_rg	25.82 Å
Total Rg total_rg	26.83 Å
Total atoms total_atoms	6102
Residues n_residues	756
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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

Maximum dimension Dmax dmax	91.0 Å
Rg (real space) rg_real	27.11 Å
Rg uncertainty (real space) rg_real_error	0.55 Å
I(0) (real space) i0_real	9.2090e+07
I(0) uncertainty (real space) i0_real_error	1.4280e+06
Rg (reciprocal space) rg_reciprocal	27.13 Å
I(0) (reciprocal space) i0_reciprocal	92090000.0000
Solution quality estimate total_estimate	0.8792
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	33.0 Å
Skewness Skewness skewness	0.328
Kurtosis Kurtosis kurtosis	-0.284
Angular range angular_range	— – 0.2900 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	23750000.0000
Real-space data points n_real_points	59
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Description description	Cytochrome c oxidase polypeptide I
Molecular weight formula_weight	63402.0 kDa
EC 编号 ec_number	1.9.3.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	6177

MHHHHHHAVRASEISRVYEAYPEKKATLYFLVLGFLALIVGSLFGPFQALNYGNVDAYPLLKRLLPFVQSYYQGLTLHGVLNAIVFTQLFAQAIMVYLPARELNMRPNMGLMWLSWWMAFIGLVVAALPLLANEATVLYTFYPPLKGHWAFYLGASVFVLSTWVSIYIVLDLWRRWKAANPGKVTPLVTYMAVVFWLMWFLASLGLVLEAVLFLLPWSFGLVEGVDPLVARTLFWWTGHPIVYFWLLPAYAIIYTILPKQAGGKLVSDPMARLAFLLFLLLSTPVGFHHQFADPGIDPTWKMIHSVLTLFVAVPSLMTAFTVAASLEFAGRLRGGRGLFGWIRALPWDNPAFVAPVLGLLGFIPGGAGGIVNASFTLDYVVHNTAWVPGHFHLQVASLVTLTAMGSLYWLLPNLTGKPISDAQRRLGLAVVWLWFLGMMIMAVGLHWAGLLNVPRRAYIAQVPDAYPHAAVPMVFNVLAGIVLLVALLLFIYGLFSVLLSRERKPELAEAPLPFAEVISGPEDRRLVLAMDRIGFWFAVAAILVVLAYGPTLVQLFGHLNPVPGWRLW

来源 Source

来源生物 organism	Thermus thermophilus
NCBI Class编号 ncbi_taxonomy_id	274
宿主生物 host_organism	Thermus thermophilus HB8

Entity 2 Entity 2 polymer

Description description	Cytochrome c oxidase polypeptide II
Molecular weight formula_weight	18581.3 kDa
EC 编号 ec_number	1.9.3.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MVDEHKAHKAILAYEKGWLAFSLAMLFVFIALIAYTLATHTAGVIPAGKLERVDPTTVRQEGPWADPAQAVVQTGPNQYTVYVLAFAFGYQPNPIEVPQGAEIVFKITSPDVIHGFHVEGTNINVEVLPGEVSTVRYTFKRPGEYRIICNQYCGLGHQNMFGTIVVKE

来源 Source

来源生物 organism	Thermus thermophilus
NCBI Class编号 ncbi_taxonomy_id	274
宿主生物 host_organism	Thermus thermophilus HB8

Entity 3 Entity 3 polymer

Description description	Cytochrome c oxidase polypeptide IIA
Molecular weight formula_weight	3769.6 kDa
EC 编号 ec_number	1.9.3.1
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

MEEKPKGALAVILVLTLTILVFWLGVYAVFFARG

来源 Source

来源生物 organism	Thermus thermophilus
NCBI Class编号 ncbi_taxonomy_id	274
宿主生物 host_organism	Thermus thermophilus HB8

Entity 4 Entity 4 non-polymer

Description description	nonyl beta-D-glucopyranoside
Molecular weight formula_weight	306.4 kDa
Source method src_method	man
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	COPPER (II) ION
Molecular weight formula_weight	63.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 non-polymer

Description description	PROTOPORPHYRIN IX CONTAINING FE
Molecular weight formula_weight	616.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	HEME-AS
Molecular weight formula_weight	921.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 9 Entity 9 non-polymer

Description description	DINUCLEAR COPPER ION
Molecular weight formula_weight	127.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	75

▼

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d1xmea_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.24 — Cytochrome c oxidase subunit I-like
Superfamily Superfamily superfamily	f.24.1 — Cytochrome c oxidase subunit I-like
Family Family family	f.24.1.1 — Cytochrome c oxidase subunit I-like

Domain ID domain_id	d1xmeb1
Class class	b — All beta proteins
Fold Fold fold	b.6 — Cupredoxin-like
Superfamily Superfamily superfamily	b.6.1 — Cupredoxins
Family Family family	b.6.1.2 — Periplasmic domain of cytochrome c oxidase subunit II

Domain ID domain_id	d1xmeb2
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.17 — Transmembrane helix hairpin
Superfamily Superfamily superfamily	f.17.2 — Cytochrome c oxidase subunit II-like, transmembrane region
Family Family family	f.17.2.1 — Cytochrome c oxidase subunit II-like, transmembrane region

Domain ID domain_id	d1xmec_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.23 — Single transmembrane helix
Superfamily Superfamily superfamily	f.23.9 — Bacterial ba3 type cytochrome c oxidase subunit IIa
Family Family family	f.23.9.1 — Bacterial ba3 type cytochrome c oxidase subunit IIa

CATH v4.4 (3 domains)

Domain ID domain_id	1xmeA00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	210 — Cytochrome C Oxidase; Chain A
Homologous superfamily homologous superfamily	10 — Cytochrome c oxidase-like, subunit I domain

Domain ID domain_id	1xmeB01
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	1070 — Rhopdopsin 7-helix transmembrane proteins
Homologous superfamily homologous superfamily	10 — Rhodopsin 7-helix transmembrane proteins

Domain ID domain_id	1xmeB02
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	420 — Cupredoxins - blue copper proteins

▶

8. Citations (1)

▶

Unit-cell length a length_a	114.902 Å
Unit-cell length b length_b	114.902 Å
Unit-cell length c length_c	177.064 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	21.420 Å
R factor r_factor	0.2170
R_work r_work	0.2170
R_free r_free	0.2360

fit	/app/data/saxs_computation/xm/1xme/1xme.fit
pddf	/app/data/pr_computation/xm/1xme/1xme.pr.out
profile	/app/data/saxs_computation/xm/1xme/1xme.dat

Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus

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

Cytochrome c oxidase polypeptide I

State in the Current Structure

Other States of the Same Protein in the Database

Cytochrome c oxidase polypeptide II

State in the Current Structure

Other States of the Same Protein in the Database

Cytochrome c oxidase polypeptide IIA

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

来源 Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 water

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (4 domains)

CATH v4.4 (3 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)