5guw

Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa

Method: X-RAY DIFFRACTION

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

Nitric oxide reductase subunit C

OrganismNot specified

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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–146	Fragment：Nitric oxide reductase subunit c Mutation：K100N	Nitric oxide reductase subunit B × 1 （Q59647） HEC HEME C × 1 CA CALCIUM ION × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, 0.2M CsCl, 12% PEG3350	Resolution 3.20 Å R-free 0.254
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 1–146	Fragment：Nitric oxide reductase subunit c Mutation：K100N	Nitric oxide reductase subunit B × 1 （Q59647） HEC HEME C × 1 CA CALCIUM ION × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, 0.2M CsCl, 12% PEG3350	Resolution 3.20 Å R-free 0.254

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 5GUW	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3O0R Crystal structure of nitric oxide reductase from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2010-07-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–146（146 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；24% PEG 400, 0.1M sodium citrate, 50mM sodium chloride, 20mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.70 Å R-free 0.247
3WFB Reduced cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–146（146 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100 mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.70 Å R-free 0.250
3WFC Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–146（146 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CMO CARBON MONOXIDE × 2 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.50 Å R-free 0.232
3WFD Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–146（146 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 AXO (1E)-N-hydroxyethanimine × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.30 Å R-free 0.232
3WFE Reduced and cyanide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–146（146 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CYN CYANIDE ION × 2 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.49 Å R-free 0.227
5GUX Cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with xenon Deposited 2016-08-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–146（146 aa） Fragment：UNP residues 5-146, Nitric oxide reductase subunit C	Mutation：K100N	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1 XE XENON × 7 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；24% PEG 400, 0.1M SODIUM CITRATE, 50mM SODIUM CHLORIDE, 20mM MAGNESIUM CHLORIDE	Resolution 3.30 Å R-free 0.268

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

View Construct and Data Evidence

UniProt name	NORC_PSEAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–146； UniProt 1–146 Author chain C； PDBConstruct 1–146； UniProt 1–146

Nitric oxide reductase subunit B

OrganismNot specified

UniProt Q59647

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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 1–466	Fragment：Nitric oxide reductase subunit b	Nitric oxide reductase subunit C × 1 （Q59646） HEC HEME C × 1 CA CALCIUM ION × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, 0.2M CsCl, 12% PEG3350	Resolution 3.20 Å R-free 0.254
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 1–466	Fragment：Nitric oxide reductase subunit b	Nitric oxide reductase subunit C × 1 （Q59646） HEC HEME C × 1 CA CALCIUM ION × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, 0.2M CsCl, 12% PEG3350	Resolution 3.20 Å R-free 0.254

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 5GUW	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3O0R Crystal structure of nitric oxide reductase from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2010-07-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–466（466 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；24% PEG 400, 0.1M sodium citrate, 50mM sodium chloride, 20mM magnesium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.70 Å R-free 0.247
3WFB Reduced cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–466（466 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100 mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.70 Å R-free 0.250
3WFC Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–466（466 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CMO CARBON MONOXIDE × 2 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.50 Å R-free 0.232
3WFD Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–466（466 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 AXO (1E)-N-hydroxyethanimine × 1 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.30 Å R-free 0.232
3WFE Reduced and cyanide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment Deposited 2013-07-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–466（466 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 CYN CYANIDE ION × 2 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；100mM sodium citrate, pH 6.0, vapor diffusion, temperature 277K	Resolution 2.49 Å R-free 0.227
5GUX Cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with xenon Deposited 2016-08-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–466（466 aa） Fragment：Nitric oxide reductase subunit B	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 FE FE (III) ION × 1 O OXYGEN ATOM × 1 XE XENON × 7 10M decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside × 2 CA CALCIUM ION × 1 HEC HEME C × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；24% PEG 400, 0.1M SODIUM CITRATE, 50mM SODIUM CHLORIDE, 20mM MAGNESIUM CHLORIDE	Resolution 3.30 Å R-free 0.268

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

View Construct and Data Evidence

UniProt name	NORB_PSEAE
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–465； UniProt 1–466 Author chain D； PDBConstruct 1–465； UniProt 1–466

Nitrite reductase

OrganismNot specified

UniProt P24474

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
3	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain M； UniProt 1–568 Chain N； UniProt 1–568	Fragment：cd1 nitrite reductase	HEC HEME C × 2 DHE HEME D × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, 0.2M CsCl, 12% PEG3350	Resolution 3.20 Å R-free 0.254

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 5GUW	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BL9 CONFORMATIONAL CHANGES OCCURRING UPON REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1998-07-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2 OH HYDROXIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 2.90 Å R-free 0.233
1GJQ Pseudomonas aeruginosa cd1 nitrite reductase reduced cyanide complex Deposited 2001-08-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2 CYN CYANIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；2M NA/K2 PHOSPHATE, 50MM TRIS-HCL, PH 8.4	Resolution 2.70 Å R-free 0.247
1HZU DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA Deposited 2001-01-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa）	Mutation：H327A	HEC HEME C × 2 DHE HEME D × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；PEG 5000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.70 Å R-free 0.248
1HZV DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA Deposited 2001-01-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa）	Mutation：H369A	HEC HEME C × 2 DHE HEME D × 2 NO NITRIC OXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG6000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.83 Å R-free 0.296
1N15 FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1998-09-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 2.90 Å R-free 0.247
1N50 FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1998-09-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 2.90 Å R-free 0.246
1N90 FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1998-09-04	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 2.90 Å R-free 0.241
1NIR OXYDIZED NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1997-06-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 2 OH HYDROXIDE ION × 2 HEC HEME C × 2 DHE HEME D × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.4；PROTEIN WAS CRYSTALLIZED FROM @M NA/K2 PHOSPHATE, 50MM TRIS-HCL, PH 8.4	Resolution 2.15 Å R-free 0.242
1NNO CONFORMATIONAL CHANGES OCCURRING UPON NO BINDING IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA Deposited 1998-07-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2 NO NITRIC OXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.2；pH 7.2	Resolution 2.65 Å R-free 0.243
6TPO Conformation of cd1 nitrite reductase NirS without bound heme d1 Deposited 2019-12-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa）	Not recorded	1PE PENTAETHYLENE GLYCOL × 2 BU3 (R,R)-2,3-BUTANEDIOL × 2 HEC HEME C × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；293 K；0.1M Phosphate/citrate pH4.2 40% (v/v) PEG300	Resolution 1.86 Å R-free 0.194
6TSI cd1 nitrite reductase NirS with bound dihydro-heme d1 Deposited 2019-12-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 26–568（543 aa） Chain B 26–568（543 aa）	Not recorded	HEC HEME C × 2 DHE HEME D × 2 PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；1.9M K2HPO4 0.1M Tris-HCl pH 8	Resolution 2.38 Å R-free 0.280

11 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NIRS_PSEAE
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain M； PDBConstruct 1–568； UniProt 1–568 Author chain N； PDBConstruct 1–568； UniProt 1–568

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

暂无 SAXS 图

P(r) Distance Distribution P(r) Distribution

暂无 P(r) 图

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5guw
Deposition date deposition_date	2016-08-31
Structure title title	Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa
Keywords keywords	metal-binding, membrane protein; MEMBRANE PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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

该条目暂无 SAXS 数据。

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

该条目暂无 P(r) 分析数据。

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (12)

Entity 1 Entity 1 polymer

Description description	Nitric oxide reductase subunit C
Molecular weight formula_weight	16374.6 kDa
Mutation mutation	K100N
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	18387

MSETFTKGMARNIYFGGSVFFILLFLALTYHTEKTLPERTNEAAMSAAVVRGKLVWEQNNCVGCHTLLGEGAYFAPELGNVVGRRGGEEGFNTFLQAWMKIQPLNVPGRRAMPQFHLSEGQVDDLAEFLKWSSKIDTNQWPPNKEG

Entity 2 Entity 2 polymer

Description description	Nitric oxide reductase subunit B
Molecular weight formula_weight	52215.9 kDa
EC 编号 ec_number	1.7.2.5
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D

MMSPNGSLKFASQAVAKPYFVFALILFVGQILFGLIMGLQYVVGDFLFPAIPFNVARMVHTNLLIVWLLFGFMGAAYYLVPEESDCELYSPKLAWILFWVFAAAGVLTILGYLLVPYAGLARLTGNELWPTMGREFLEQPTISKAGIVIVALGFLFNVGMTVLRGRKTAISMVLMTGLIGLALLFLFSFYNPENLTRDKFYWWWVVHLWVEGVWELIMGAILAFVLVKITGVDREVIEKWLYVIIAMALISGIIGTGHHYFWIGVPGYWLWLGSVFSALEPLPFFAMVLFAFNTINRRRRDYPNRAVALWAMGTTVMAFLGAGVWGFMHTLAPVNYYTHGTQLTAAHGHMAFYGAYAMIVMTIISYAMPRLRGIGEAMDNRSQVLEMWGFWLMTVAMVFITLFLSAAGVLQVWLQRMPADGAAMTFMATQDQLAIFYWLREGAGVVFLIGLVAYLLSFRRGKAAA

Entity 3 Entity 3 polymer

Description description	Nitrite reductase
Molecular weight formula_weight	62736.1 kDa
EC 编号 ec_number	1.7.2.1,1.7.99.1
Source method src_method	nat
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	M,N

MPFGKPLVGTLLASLTLLGLATAHAKDDMKAAEQYQGAASAVDPAHVVRTNGAPDMSESEFNEAKQIYFQRCAGCHGVLRKGATGKPLTPDITQQRGQQYLEALITYGTPLGMPNWGSSGELSKEQITLMAKYIQHTPPQPPEWGMPEMRESWKVLVKPEDRPKKQLNDLDLPNLFSVTLRDAGQIALVDGDSKKIVKVIDTGYAVHISRMSASGRYLLVIGRDARIDMIDLWAKEPTKVAEIKIGIEARSVESSKFKGYEDRYTIAGAYWPPQFAIMDGETLEPKQIVSTRGMTVDTQTYHPEPRVAAIIASHEHPEFIVNVKETGKVLLVNYKDIDNLTVTSIGAAPFLHDGGWDSSHRYFMTAANNSNKVAVIDSKDRRLSALVDVGKTPHPGRGANFVHPKYGPVWSTSHLGDGSISLIGTDPKNHPQYAWKKVAELQGQGGGSLFIKTHPKSSHLYVDTTFNPDARISQSVAVFDLKNLDAKYQVLPIAEWADLGEGAKRVVQPEYNKRGDEVWFSVWNGKNDSSALVVVDDKTLKLKAVVKDPRLITPTGKFNVYNTQHDVY

Entity 4 Entity 4 non-polymer

Description description	HEME C
Molecular weight formula_weight	618.5 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside
Molecular weight formula_weight	498.6 kDa
Source method src_method	man
Copy count entity_count	3

Entity 7 Entity 7 non-polymer

Description description	PROTOPORPHYRIN IX CONTAINING FE
Molecular weight formula_weight	616.5 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 8 Entity 8 non-polymer

Description description	FE (III) ION
Molecular weight formula_weight	55.8 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 9 Entity 9 non-polymer

Description description	OXYGEN ATOM
Molecular weight formula_weight	16.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 10 Entity 10 non-polymer

Description description	HEME D
Molecular weight formula_weight	712.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 11 Entity 11 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 12 Entity 12 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	34

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7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id	5guwA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily	10 — Cytochrome c-like domain

Domain ID domain_id	5guwB00
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	5guwC00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily	10 — Cytochrome c-like domain

Domain ID domain_id	5guwD00
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	5guwM01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily	10 — Cytochrome c-like domain

Domain ID domain_id	5guwM02
Class class	2 — Mainly Beta
Architecture architecture	140 — 8 Propeller
Topology topology	10 — Methanol Dehydrogenase; Chain A
Homologous superfamily homologous superfamily	20 — C-terminal (heme d1) domain of cytochrome cd1-nitrite reductase

Domain ID domain_id	5guwN01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	760 — Cytochrome Bc1 Complex; Chain D, domain 2
Homologous superfamily homologous superfamily	10 — Cytochrome c-like domain

Domain ID domain_id	5guwN02
Class class	2 — Mainly Beta
Architecture architecture	140 — 8 Propeller
Topology topology	10 — Methanol Dehydrogenase; Chain A
Homologous superfamily homologous superfamily	20 — C-terminal (heme d1) domain of cytochrome cd1-nitrite reductase

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8. Citations (4)

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Unit-cell length a length_a	111.871 Å
Unit-cell length b length_b	128.606 Å
Unit-cell length c length_c	127.807 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	106.83 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	3.200 Å
Low-resolution limit resolution_low	49.480 Å
R factor r_factor	0.2119
R_work r_work	0.2097
R_free r_free	0.2540

Complex of Cytochrome cd1 Nitrite Reductase and Nitric Oxide Reductase in Denitrification of Pseudomonas aeruginosa

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

Nitric oxide reductase subunit C

State in the Current Structure

Other States of the Same Protein in the Database

Nitric oxide reductase subunit B

State in the Current Structure

Other States of the Same Protein in the Database

Nitrite reductase

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 (12)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer Polymer

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 non-polymer

Entity 11 Entity 11 non-polymer

Entity 12 Entity 12 water

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

8. Citations (4)

9. Files and Curves (0)