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1put

AN NMR-DERIVED MODEL FOR THE SOLUTION STRUCTURE OF OXIDIZED PUTIDAREDOXIN, A 2FE, 2-S FERREDOXIN FROM PSEUDOMONAS

Method: SOLUTION NMR Dmax: 40.2 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PUTIDAREDOXIN

Pseudomonas putida

UniProt P00259

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 Not recorded FES FE2/S2 (INORGANIC) CLUSTER × 1 SOLUTION NMR mmCIF provides none of the parsed experimental conditions Resolution not provided

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 1PUT 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 conditions 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
1OQQ Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution Deposited 2003-03-10 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）
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
1OQQ Crystal structure of C73S/C85S mutant of putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida, at 1.47A resolution Deposited 2003-03-10 Different mutation/modification Different experimental method 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；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
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 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：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 method 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 method 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 method 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 experimental conditions 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
1R7S PUTIDAREDOXIN (Fe2S2 ferredoxin), C73G mutant Deposited 2003-10-22 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）
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 method 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 method 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 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）
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 mutation/modification Different experimental method 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 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）
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 mutation/modification Different experimental method 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 method 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 method 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 method 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 method 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 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：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 method 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 method 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 method 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 experimental conditions 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 experimental conditions 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 conditions 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 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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 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：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 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 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 oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 method 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 method 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 method 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 method 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 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）
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 oligomeric state Different ligand/ion Different experimental method 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 method 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 method 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 41 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

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

SAXS scattering curve SAXS Profile

SAXS profile for 1put

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1put
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1put
Deposition date deposition_date1994-07-09
Structure title titleAN NMR-DERIVED MODEL FOR THE SOLUTION STRUCTURE OF OXIDIZED PUTIDAREDOXIN, A 2FE, 2-S FERREDOXIN FROM PSEUDOMONAS
Keywords keywordsELECTRON TRANSPORT; ELECTRON TRANSPORT
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier12.76 Å
Radius of gyration Rg (electron density) rg_electron12.44 Å
Forward intensity I(0) i0316426000.00
Molecular weight molecular_weight139040.0 kDa
Excluded volume excluded_volume169490 ų
Envelope volume envelope_volume21396 ų
Hydration-shell volume shell_volume12982 ų
Envelope diameter envelope_diameter44.5 Å
Shell Rg shell_rg19.89 Å
Envelope Rg envelope_rg13.96 Å
Shape Rg shape_rg12.47 Å
Total Rg total_rg12.55 Å
Total atoms total_atoms18840
Residues n_residues1272
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax40.2 Å
Rg (real space) rg_real12.65 Å
Rg uncertainty (real space) rg_real_error0.25 Å
I(0) (real space) i0_real3.1640e+08
I(0) uncertainty (real space) i0_real_error3.5570e+06
Rg (reciprocal space) rg_reciprocal12.66 Å
I(0) (reciprocal space) i0_reciprocal316400000.0000
Solution quality estimate total_estimate0.8887
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary39.7 Å
Skewness Skewness skewness0.018
Kurtosis Kurtosis kurtosis-0.424
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha233600.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.866; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.965
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1puta_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamilyd.15.4 — 2Fe-2S ferredoxin-like
Family Family familyd.15.4.1 — 2Fe-2S ferredoxin-related

CATH v4.4 (1 domains)

Domain ID domain_id1putA00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily30 — Beta-grasp domain
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8. Citations (6)

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9. Files and Curves (10)