Current Protein Identity：P07445
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1C7H CRYSTAL STRUCTURE OF A MUTANT R75A IN KETOSTEROID ISOMERASE FROM PSEDOMONAS PUTIDA BIOTYPE B Deposited 2000-02-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：R75A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；pH 4.6
|
Resolution 2.50 Å R-free 0.271 |
| 1CQS CRYSTAL STRUCTURE OF D103E MUTANT WITH EQUILENINEOF KSI IN PSEUDOMONAS PUTIDA Deposited 1999-08-11 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Fragment：KSI MUTANT
Chain B
1–131（131 aa）
Fragment：KSI MUTANT
|
Mutation：D103E,D40N Mutation：D103E,D40N | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；Sodium Acetate, Ammonium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 1.90 Å R-free 0.259 |
| 1DMM CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：Y57F | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 1.90 Å R-free 0.249 |
| 1DMN CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/Y57F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：Y32F, Y57F | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.05 Å R-free 0.244 |
| 1DMQ CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B Deposited 1999-12-14 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：Y32F | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K
|
Resolution 2.15 Å R-free 0.234 |
| 1E3R Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from Pseudomonas putida complexed with androsten-3beta-ol-17-one Deposited 2000-06-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：YES Mutation：YES | AND 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.50
|
Resolution 2.50 Å R-free 0.279 |
| 1E3V Crystal structure of ketosteroid isomerase from Psedomonas putida complexed with deoxycholate Deposited 2000-06-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | DXC (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.50
|
Resolution 2.00 Å R-free 0.264 |
| 1E97 Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f Deposited 2000-10-10 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；pH 4.60
|
Resolution 2.00 Å R-free 0.264 |
| 1EA2 Pseudoreversion of the Catalytic Activity of Y14F by the Additional Tyrosine-to-Phenylalanine Substitution(s) in the Hydrogen Bond Network of Delta-5-3-Ketosteroid Isomerase from Pheudomonas putida Biotype B Deposited 2000-11-03 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；pH 4.60
|
Resolution 1.80 Å R-free 0.258 |
| 1GS3 High resolution crystal structure of PI delta-5-3-Ketosteroid Isomerase mutants Y30F/Y55F/Y115F/D38N (Y32F/Y57F/Y119F/D40N, PI numbering)complexed with equilenin at 2.1 A resolution Deposited 2001-12-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；pH 4.60
|
Resolution 2.10 Å R-free 0.275 |
| 1K41 Crystal structure of KSI Y57S mutant Deposited 2001-10-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y57S Mutation：Y57S | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
EVAPORATION；pH 4.6；295 K；Sodium Acetate, Ammonium acetate, pH 4.6, EVAPORATION, temperature 295K
|
Resolution 2.20 Å R-free 0.315 |
| 1OGX High Resolution Crystal Structure Of Ketosteroid Isomerase Mutant D40N(D38N, Ti Numbering) from Pseudomonas putida Complexed With Equilenin At 2.0 A Resolution. Deposited 2003-05-17 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：YES Mutation：YES | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.50
|
Resolution 2.00 Å R-free 0.255 |
| 1OH0 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE COMPLEXED WITH EQUILENIN Deposited 2003-05-21 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | EQU EQUILENIN × 2 BME BETA-MERCAPTOETHANOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.8；20% POLYETHYLENEGLYCOL 4000, 0.1 M SODIUM CITRATE PH 5.6
|
Resolution 1.10 Å R-free 0.220 |
| 1OHO CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE Y16F/D40N mutant COMPLEXED WITH EQUILENIN Deposited 2003-05-29 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.8；pH 6.80
|
Resolution 1.90 Å R-free 0.226 |
| 1OPY KSI Deposited 1997-05-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.90 Å R-free 0.273 |
| 1VZZ CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/D103L OF KETOSTEROID ISOMERASE FROM PSEUDOMONAS PUTIDA BIOTYPE B Deposited 2004-05-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：YES Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60
|
Resolution 2.30 Å R-free 0.239 |
| 1W00 Crystal structure of mutant enzyme D103L of Ketosteroid Isomerase from Pseudomonas putida biotype B Deposited 2004-05-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：YES Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60
|
Resolution 2.20 Å R-free 0.279 |
| 1W01 Crystal structure of mutant enzyme Y57F/D103L of ketosteroid isomerase from Pseudomonas putida biotype B Deposited 2004-05-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：YES Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60
|
Resolution 2.20 Å R-free 0.268 |
| 1W02 Crystal structure of mutant enzyme Y16F/D103L of ketosteroid isomerase from Pseudomonas putida biotype B Deposited 2004-05-30 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60
|
Resolution 2.30 Å R-free 0.285 |
| 1W6Y crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida biotype B Deposited 2004-08-25 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | EQU EQUILENIN × 2 BME BETA-MERCAPTOETHANOL × 6 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.269 |
| 2INX Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol Deposited 2006-10-09 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：D40N | FFP 2,6-DIFLUOROPHENOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate 1.4 M, 2-propanol 6.5%
protein concentration 25 mg/ml, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.50 Å R-free 0.234 |
| 2PZV Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas Putida (pksi) with bound Phenol Deposited 2007-05-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N Mutation：D40N | IPH PHENOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；1.4 M ammonium sulphate,
7% (v/v) 2-propanol,
40 mM potasium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.25 Å R-free 0.227 |
| 2PZV Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas Putida (pksi) with bound Phenol Deposited 2007-05-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N Mutation：D40N | IPH PHENOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；1.4 M ammonium sulphate,
7% (v/v) 2-propanol,
40 mM potasium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 1.25 Å R-free 0.227 |
| 3CPO Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol Deposited 2008-03-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：D40N | FP2 2-fluorophenol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；AMMONIUM SULPHATE 1.4 M, 2-PROPANOL 5-7%, PROTEIN CONCENTRATION 25 MG/ML, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.24 Å R-free 0.200 |
| 3FZW Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin Deposited 2009-01-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, D103N Mutation：D40N, D103N | EQU EQUILENIN × 2 GOL GLYCEROL × 2 IPA ISOPROPYL ALCOHOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Ammonium sulphate 1.4 M, 2-propanol 6.5%, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.32 Å R-free 0.183 |
| 3IPT Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin Deposited 2009-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y16S,D40N Mutation：Y16S,D40N | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；0.9 M ammonium sulfate, 40 mM potassium phosphate, pH 7.2, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.63 Å R-free 0.245 |
| 3IPT Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin Deposited 2009-08-18 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：Y16S,D40N Mutation：Y16S,D40N | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；0.9 M ammonium sulfate, 40 mM potassium phosphate, pH 7.2, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP
|
Resolution 1.63 Å R-free 0.245 |
| 3OWS Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain C
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.71 Å R-free 0.257 |
| 3OWS Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.71 Å R-free 0.257 |
| 3OWU Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.270 |
| 3OWU Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.270 |
| 3OWY Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.346 |
| 3OWY Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–131（131 aa）
Chain C
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.346 |
| 3OWY Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–131（131 aa）
Chain H
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.346 |
| 3OWY Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M105C-CN from P. putida with Bound Equilenin Deposited 2010-09-20 | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
1–131（131 aa）
Chain G
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M105(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.346 |
| 3OX9 Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida Deposited 2010-09-21 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.341 |
| 3OX9 Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida Deposited 2010-09-21 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, F86(XCN), C97S Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.341 |
| 3OXA Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida Deposited 2010-09-21 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain C
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.89 Å R-free 0.290 |
| 3OXA Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/M116C-CN from P. putida Deposited 2010-09-21 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–131（131 aa）
Chain D
1–131（131 aa）
|
Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, C69S, C81S, C97S, M116(XCN) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1 M ammonium sulfate, 5% isopropanol, 40 mM potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.89 Å R-free 0.290 |
| 3RGR Crystal structure of ketosteroid isomerase M116A from Pseudomonas putida Deposited 2011-04-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：M116A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；298 K；1 M ammonium sulfate, 40 mM potassium phosphate pH 7.2, 1 mM EDTA, 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.59 Å R-free 0.225 |
| 3SED Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida Deposited 2011-06-10 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–127（125 aa）
Fragment：unp residues 3-127
|
Mutation：M105A Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.4 M Ammonium sulfate
6.5% Isopropyl alcohol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.30 Å R-free 0.231 |
| 3SED Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida Deposited 2011-06-10 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
3–127（125 aa）
Fragment：unp residues 3-127
|
Mutation：M105A Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.4 M Ammonium sulfate
6.5% Isopropyl alcohol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.30 Å R-free 0.231 |
| 3T8N Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida Deposited 2011-08-01 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y16A, D103A Mutation：Y16A, D103A | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；298 K；1.6 M ammonium sulfate, 40 mM potassium phosphate, 1 mM EDTA, 2 mM DTT, pH 7.2, vapor diffusion, sitting drop, temperature 298K
|
Resolution 1.47 Å R-free 0.218 |
| 3T8N Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida Deposited 2011-08-01 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
1–131（131 aa）
Chain F
1–131（131 aa）
|
Mutation：Y16A, D103A Mutation：Y16A, D103A | SO4 SULFATE ION × 3 EDT {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.2；298 K；1.6 M ammonium sulfate, 40 mM potassium phosphate, 1 mM EDTA, 2 mM DTT, pH 7.2, vapor diffusion, sitting drop, temperature 298K
|
Resolution 1.47 Å R-free 0.218 |
| 3VGN Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol Deposited 2011-08-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N Mutation：D40N | FNN 3-fluoro-4-nitrophenol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；1.4M Ammonium sulphate, 6-7% 2-propanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.30 Å R-free 0.218 |
| 3VSY High-resolution crystal structure of wild-type KSI in the apo form at neutral pH Deposited 2012-05-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
3–131（129 aa）
Fragment：UNP RESIDUES 3-131
Chain B
3–131（129 aa）
Fragment：UNP RESIDUES 3-131
|
Not recorded | SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；AMMONIUM SULPHATE 1.4M, 2-PROPANOL 5-7%, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.50 Å R-free 0.202 |
| 4CDL Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione Deposited 2013-11-01 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | LLK (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.5；50 MM SODIUM ACETATE PH 4.5, 1 M NACL, 45% V/V PEG400
|
Resolution 2.50 Å R-free 0.297 |
| 4K1U Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y32F mutations Deposited 2013-04-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y16F Y32F Mutation：Y16F Y32F | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.262 |
| 4K1V Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y57F mutations Deposited 2013-04-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：Y16F, Y57F | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.207 |
| 5AI1 Crystal structure of ketosteroid isomerase containing Y32F, D40N, Y57F and Y119F mutations in the equilenin-bound form Deposited 2015-02-11 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：YES | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 4.6；0.1M SODIUM ACETATE (PH 4.5), 0.6M AMMONIUM ACETATE, 30% PEG 4,000
|
Resolution 2.10 Å R-free 0.259 |
| 5D81 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y57(Cl-Y) Deposited 2015-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：D40N,Y57(Cl-Y) Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.39 Å R-free 0.222 |
| 5D82 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y16(Cl-Y) Deposited 2015-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, Y16(Cl-Y) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, Y16(Cl-Y) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.37 Å R-free 0.223 |
| 5D83 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y) Deposited 2015-08-15 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, Y32(Cl-Y) Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：D40N, Y32(Cl-Y) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammounium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.70 Å R-free 0.248 |
| 5G2G Crystal structure of ketosteroid isomerase containing M116K mutation in the equilenin-bound form Deposited 2016-04-08 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–128（127 aa）
Chain B
2–128（127 aa）
|
Mutation：YES Mutation：YES | EQU EQUILENIN × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.5；BIS-TRIS, MAGNESIUM CHLORIDE, PEG 3350, PH 5.50
|
Resolution 1.60 Å R-free 0.230 |
| 5KP1 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y16(Cl-Y) Deposited 2016-07-01 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.22 Å R-free 0.185 |
| 5KP1 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y16(Cl-Y) Deposited 2016-07-01 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–131（131 aa）
Chain D
1–131（131 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.22 Å R-free 0.185 |
| 5KP3 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y57(Cl-Y) Deposited 2016-07-01 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | EQU EQUILENIN × 2 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.70 Å R-free 0.254 |
| 5KP4 Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to 19-nortestosterone Deposited 2016-07-01 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | 6VW (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.71 Å R-free 0.239 |
| 6C17 Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol Deposited 2018-01-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：D40N | MG MAGNESIUM ION × 2 DNX 3,4-dinitrophenol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.2；293 K；18-22% PEG 3350, 0.2 M magnesium chloride, 0.04 M potassium phosphate
|
Resolution 1.10 Å R-free 0.174 |
| 6C1J Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol Deposited 2018-01-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：Y32F, Y57F, D40N | MG MAGNESIUM ION × 4 CL CHLORIDE ION × 2 DNX 3,4-dinitrophenol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.2；293 K；18-22 % PEG 3350, 0.2 M magnesium chloride, 0.04 M potassium phosphate
|
Resolution 1.06 Å R-free 0.154 |
| 6C1X Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol Deposited 2018-01-05 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
|
Mutation：D40N, D103N | MG MAGNESIUM ION × 4 DNX 3,4-dinitrophenol × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.2；293 K；18-22 % PEG 3350, 0.2 M magnesium chloride, 0.04 M potassium phosphate
|
Resolution 1.05 Å R-free 0.172 |
| 6F4Y CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S Deposited 2017-11-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 1.92 Å R-free 0.252 |
| 6F4Y CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE VARIANT D103S Deposited 2017-11-30 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 1.92 Å R-free 0.252 |
| 6F50 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE DOUBLE VARIANT V88I/L99V Deposited 2017-11-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 2.00 Å R-free 0.227 |
| 6F50 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE DOUBLE VARIANT V88I/L99V Deposited 2017-11-30 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 2.00 Å R-free 0.227 |
| 6F53 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE QUADRUPLE VARIANT V88I/L99V/D103S/V101A Deposited 2017-11-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 1.49 Å R-free 0.202 |
| 6F54 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S Deposited 2017-11-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 1.08 Å R-free 0.199 |
| 6F54 CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE TRIPLE VARIANT V88I/L99VD103S Deposited 2017-11-30 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
3–127（125 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；10-25% PEG3350 with 0.2 M MgCl2; ii) 10-25% PEG3350 with 0.2 M ammonium acetate
|
Resolution 1.08 Å R-free 0.199 |
| 6TZD Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K Deposited 2019-08-12 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | ASD 4-ANDROSTENE-3-17-DIONE × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；17-23 % PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.45 Å R-free 0.174 |
| 6U1Z Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K Deposited 2019-08-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；278 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.50 Å R-free 0.167 |
| 6U4I Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K Deposited 2019-08-25 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | EQU EQUILENIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.55 Å R-free 0.175 |
| 6UBQ Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K Deposited 2019-09-12 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | ASD 4-ANDROSTENE-3-17-DIONE × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.30 Å R-free 0.170 |
| 6UCN Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K Deposited 2019-09-16 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | EQU EQUILENIN × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.2；293 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.32 Å R-free 0.174 |
| 6UCW Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K Deposited 2019-09-17 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.25 Å R-free 0.173 |
| 6UCY Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K Deposited 2019-09-18 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | ASD 4-ANDROSTENE-3-17-DIONE × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.15 Å R-free 0.164 |
| 6UFS Crystal structure of ketosteroid isomerase from Pseudomonas putida (pKSI) bound to 5 alpha-dihydronandrolone Deposited 2019-09-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Not recorded | Q6J 5alpha-dihydronandrolone × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；1.1-1.4 M ammonium sulfate, 40 mM potassium phosphate, 3-6% isopropanol
|
Resolution 1.47 Å R-free 0.221 |
| 7RXF Multi-conformer model of Apo Ketosteroid Isomerase Y57F mutant from Pseudomonas Putida (pKSI) at 250 K Deposited 2021-08-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y57F Mutation：Y57F | MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.16 Å R-free 0.171 |
| 7RXK Multi-conformer model of Apo Ketosteroid Isomerase Y32F/Y57F mutant from Pseudomonas Putida (pKSI) at 250 K Deposited 2021-08-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：Y32F, Y57F Mutation：Y32F, Y57F | MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；17-23% PEG 3350, 0.2 M magnesium chloride
|
Resolution 1.10 Å R-free 0.166 |
| 7RY4 Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K Deposited 2021-08-24 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–131（131 aa）
Chain B
1–131（131 aa）
|
Mutation：D40N, Y57F Mutation：D40N, Y57F | CL CHLORIDE ION × 2 MG MAGNESIUM ION × 6 J3Z (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE
|
Resolution 1.11 Å R-free 0.158 |