1oqq

Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution

Method: X-RAY DIFFRACTION D_max: 66.4 Å Quality: GOOD

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

Putidaredoxin

Pseudomonas putida

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1–106	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.47 Å R-free 0.218
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 1–106	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.47 Å R-free 0.218

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 1OQQ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1GPX C85S GAPDX, NMR, 20 STRUCTURES Deposited 1998-06-10	Different mutation/modification 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 1–106（106 aa）	Mutation：C85S	GA GALLIUM (III) ION × 1	SOLUTION NMR NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.01M；Pressure 1 NMR sample composition 90/10 H2O/D2O	Resolution not provided
1OQR Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution Deposited 2003-03-10	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；lithium sulfate, sodium citrate, dithiothreitol, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.65 Å R-free 0.257
1OQR Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution Deposited 2003-03-10	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；lithium sulfate, sodium citrate, dithiothreitol, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.65 Å R-free 0.257
1OQR Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution Deposited 2003-03-10	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；lithium sulfate, sodium citrate, dithiothreitol, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.65 Å R-free 0.257
1OQR Crystal structure of C73S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.65A resolution Deposited 2003-03-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–106（106 aa） Chain C 1–106（106 aa）	Mutation：C73S Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；298 K；lithium sulfate, sodium citrate, dithiothreitol, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.65 Å R-free 0.257
1PDX PUTIDAREDOXIN Deposited 1999-02-15	Different construct Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–107（106 aa）	Not recorded	FES FE2/S2 (INORGANIC) CLUSTER × 1	SOLUTION NMR NMR measurement conditions pH 7.4；290 K；Pressure 1	Resolution not provided
1PUT AN NMR-DERIVED MODEL FOR THE SOLUTION STRUCTURE OF OXIDIZED PUTIDAREDOXIN, A 2FE, 2-S FERREDOXIN FROM PSEUDOMONAS Deposited 1994-07-09	Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Not recorded	FES FE2/S2 (INORGANIC) CLUSTER × 1	SOLUTION NMR mmCIF provides none of the parsed conditions	Resolution not provided
1R7S PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant Deposited 2003-10-22	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Mutation：C73G	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.5M Li2SO4, 0.1M Hepes, 2nM n-octanoyl sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.91 Å R-free 0.211
1R7S PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant Deposited 2003-10-22	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–106（106 aa）	Mutation：C73G	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.5M Li2SO4, 0.1M Hepes, 2nM n-octanoyl sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.91 Å R-free 0.211
1R7S PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant Deposited 2003-10-22	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–106（106 aa）	Mutation：C73G	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；1.5M Li2SO4, 0.1M Hepes, 2nM n-octanoyl sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.91 Å R-free 0.211
1XLN Crystal structure of oxidized C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida Deposited 2004-09-30	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293 K；Ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.03 Å R-free 0.231
1XLN Crystal structure of oxidized C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida Deposited 2004-09-30	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–106（106 aa）	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293 K；Ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.03 Å R-free 0.231
1XLO Structure of reduced C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida Deposited 2004-09-30	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293 K；Ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.84 Å R-free 0.237
1XLO Structure of reduced C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida Deposited 2004-09-30	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–106（106 aa）	Mutation：C73S, C85S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；293 K；Ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.84 Å R-free 0.237
1XLP Structure of oxidized C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–107（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.221
1XLP Structure of oxidized C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 2–107（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.221
1XLP Structure of oxidized C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 2–107（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.221
1XLP Structure of oxidized C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 2–107（106 aa） Chain C 2–107（106 aa）	Mutation：C73S Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.221
1XLQ Crystal structure of reduced C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.45 Å R-free 0.201
1XLQ Crystal structure of reduced C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.45 Å R-free 0.201
1XLQ Crystal structure of reduced C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–106（106 aa）	Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.45 Å R-free 0.201
1XLQ Crystal structure of reduced C73S putidaredoxin from Pseudomonas putida Deposited 2004-09-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–106（106 aa） Chain B 1–106（106 aa）	Mutation：C73S Mutation：C73S	FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；lithium sulfate, sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.45 Å R-free 0.201
1YJI RDC-refined Solution NMR structure of reduced putidaredoxin Deposited 2005-01-14	Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Not recorded	FES FE2/S2 (INORGANIC) CLUSTER × 1	SOLUTION NMR NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 50 mM KCl；Pressure ambient NMR sample composition 1 mM reduced putidaredoxin 15N; 50 mM Tris-Cl buffer, 50 mM KCl, pH 7.4 \| 90% H2O/10% D2O	Resolution not provided
1YJJ RDC-refined Solution NMR structure of oxidized putidaredoxin Deposited 2005-01-14	Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–106（106 aa）	Not recorded	FES FE2/S2 (INORGANIC) CLUSTER × 1	SOLUTION NMR NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 50 mM KCl；Pressure ambient NMR sample composition 1 mM oxidized putidaredoxin 15N; 50 mM Tris-Cl buffer, 50 mM KCl, pH 7.4 \| 90% H2O/10% D2O	Resolution not provided
2M56 The structure of the complex of cytochrome P450cam and its electron donor putidaredoxin determined by paramagnetic NMR spectroscopy Deposited 2013-02-14	Different construct Different mutation/modification 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 2–107（106 aa）	Mutation：C74S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CAM CAMPHOR × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	SOLUTION NMR NMR measurement conditions pH 7.4；290 K；Ionic strength (raw mmCIF value) 100；Pressure ambient NMR sample composition 100 uM [U-95% 15N] entity_1-1, 93% H2O/7% D2O \| 93% H2O/7% D2O	Resolution not provided
3LB8 Crystal structure of the covalent putidaredoxin reductase-putidaredoxin complex Deposited 2010-01-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–107（106 aa）	Mutation：C73S, C85S	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；1.3 M malonate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.272
3LB8 Crystal structure of the covalent putidaredoxin reductase-putidaredoxin complex Deposited 2010-01-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2–107（106 aa）	Mutation：C73S, C85S	FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；298 K；1.3 M malonate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.272
3W9C Crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin Deposited 2013-04-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 2–107（106 aa）	Mutation：C73S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；0.1M HEPES (PH7.5), 0.1M SODIUM CHLORIDE, 1.6M AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.50 Å R-free 0.251
4JWS Crystal structure of Cytochrome P450cam-putidaredoxin complex Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–107（106 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.15 Å R-free 0.225
4JWS Crystal structure of Cytochrome P450cam-putidaredoxin complex Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2–107（106 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.15 Å R-free 0.225
4JWU Crystal structure of Cytochrome P450cam-putidaredoxin complex Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.266
4JWU Crystal structure of Cytochrome P450cam-putidaredoxin complex Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CA CALCIUM ION × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.266
4JX1 Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CAM CAMPHOR × 1 CAH 5-EXO-HYDROXYCAMPHOR × 1 CA CALCIUM ION × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.09 Å R-free 0.212
4JX1 Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CAM CAMPHOR × 1 CA CALCIUM ION × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.09 Å R-free 0.212
4JX1 Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CAM CAMPHOR × 1 CAH 5-EXO-HYDROXYCAMPHOR × 1 CA CALCIUM ION × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.09 Å R-free 0.212
4JX1 Crystal structure of reduced Cytochrome P450cam-putidaredoxin complex bound to camphor and 5-exo-hydroxycamphor Deposited 2013-03-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 1–107（107 aa）	Mutation：C85S, C73S, D19C	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CAM CAMPHOR × 1 CAH 5-EXO-HYDROXYCAMPHOR × 1 CA CALCIUM ION × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.09 Å R-free 0.212
5GXG High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin Deposited 2016-09-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 2–107（106 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 SO4 SULFATE ION × 5 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1M HEPES, 0.1M Sodium Chloride, 1.6M Ammonium sulfate	Resolution 1.70 Å R-free 0.192
5GXG High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin Deposited 2016-09-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 2–107（106 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2 SO4 SULFATE ION × 10 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 FES FE2/S2 (INORGANIC) CLUSTER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.1M HEPES, 0.1M Sodium Chloride, 1.6M Ammonium sulfate	Resolution 1.70 Å R-free 0.192
6NBL Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide Deposited 2018-12-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–107（106 aa）	Mutation：D19C, C74S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 CAM CAMPHOR × 1 CA CALCIUM ION × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, 50 mM KCN	Resolution 2.15 Å R-free 0.254
6NBL Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide Deposited 2018-12-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2–107（106 aa）	Mutation：D19C, C74S	HEM PROTOPORPHYRIN IX CONTAINING FE × 1 CYN CYANIDE ION × 1 CAM CAMPHOR × 1 CA CALCIUM ION × 1 1N0 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione × 1 FES FE2/S2 (INORGANIC) CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M calcium acetate hydrate, 14-22% PEG3350, pH 7.4, 50 mM KCN	Resolution 2.15 Å R-free 0.254

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

View Construct and Data Evidence

UniProt name	PUTX_PSEPU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–106； UniProt 1–106 Author chain B； PDBConstruct 1–106； UniProt 1–106

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	1oqq
Deposition date deposition_date	2003-03-10
Structure title title	Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution
Keywords keywords	electron transfer, ELECTRON TRANSPORT; ELECTRON TRANSPORT
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	19.79 Å
Radius of gyration Rg (electron density) rg_electron	19.14 Å
Forward intensity I(0) i0	10874200.00
Molecular weight molecular_weight	23109.0 kDa
Excluded volume excluded_volume	28198 Å³
Envelope volume envelope_volume	32969 Å³
Hydration-shell volume shell_volume	15286 Å³
Envelope diameter envelope_diameter	69.5 Å
Shell Rg shell_rg	24.08 Å
Envelope Rg envelope_rg	19.27 Å
Shape Rg shape_rg	19.12 Å
Total Rg total_rg	19.87 Å
Total atoms total_atoms	1596
Residues n_residues	212
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	66.4 Å
Rg (real space) rg_real	19.87 Å
Rg uncertainty (real space) rg_real_error	0.57 Å
I(0) (real space) i0_real	1.0870e+07
I(0) uncertainty (real space) i0_real_error	1.5250e+05
Rg (reciprocal space) rg_reciprocal	19.86 Å
I(0) (reciprocal space) i0_reciprocal	10870000.0000
Solution quality estimate total_estimate	0.7858
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	19.6 Å
Skewness Skewness skewness	0.395
Kurtosis Kurtosis kurtosis	-0.478
Angular range angular_range	— – 0.4000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1821000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.787; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.852; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Putidaredoxin
Molecular weight formula_weight	11396.8 kDa
Mutation mutation	C73S, C85S
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	1844

SKVVYVSHDGTRRELDVADGVSLMQAAVSNGIYDIVGDCGGSASCATCHVYVNEAFTDKVPAANEREIGMLESVTAELKPNSRLSCQIIMTPELDGIVVDVPDRQW

来源 Source

来源生物 organism	Pseudomonas putida
NCBI Class编号 ncbi_taxonomy_id	303
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	FE2/S2 (INORGANIC) CLUSTER
Molecular weight formula_weight	175.8 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	248

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1oqqa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.4 — 2Fe-2S ferredoxin-like
Family Family family	d.15.4.1 — 2Fe-2S ferredoxin-related

Domain ID domain_id	d1oqqb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.4 — 2Fe-2S ferredoxin-like
Family Family family	d.15.4.1 — 2Fe-2S ferredoxin-related

CATH v4.4 (2 domains)

Domain ID domain_id	1oqqA00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

Domain ID domain_id	1oqqB00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

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8. Citations (1)

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Unit-cell length a length_a	50.212 Å
Unit-cell length b length_b	75.845 Å
Unit-cell length c length_c	107.730 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	16

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	1.470 Å
Low-resolution limit resolution_low	26.080 Å
R factor r_factor	0.2110
R_work r_work	0.2110
R_free r_free	0.2180

fit	/app/data/saxs_computation/oq/1oqq/1oqq.fit
pddf	/app/data/pr_computation/oq/1oqq/1oqq.pr.out
profile	/app/data/saxs_computation/oq/1oqq/1oqq.dat