UniProt P15121
Aldo-keto reductase family 1 member B1 (P15121)
Aldo-keto reductase family 1 member B1 (UniProt P15121), EC 1.1.1.21, 1.1.1.300: 297 experimental structures and 1 predicted model on GenesisL1, 16 ligands bound, 25 pockets. Binding sites, druggability and experiment against…
- UniProt
- P15121
- Protein
- Aldo-keto reductase family 1 member B1
- EC
- 1.1.1.21, 1.1.1.300, 1.1.1.372, 1.1.1.54
- Experimental structures
- 297
- Predicted models
- 1
- Ligands
- 16
- Pockets
- 25 · 14 records with a druggable one
Structures
298 records of P15121 in the MolNFT archive: 297 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1ABN | The crystal structure of the aldose reductase NADPH binary complex | x-ray diffraction | A | — | — |
| 1ABN | The crystal structure of the aldose reductase NADPH binary complex | x-ray diffraction | A | — | — |
| 1ADS | An unlikely sugar substrate site in the 1.65 ångströms structure of the human aldose reductase… | x-ray diffraction | A | — | — |
| 1ADS | An unlikely sugar substrate site in the 1.65 ångströms structure of the human aldose reductase… | x-ray diffraction | A | — | — |
| 1AZ1 | Alrestatin bound to C298A/W219Y mutant human aldose reductase | x-ray diffraction | A | — | — |
| 1AZ1 | Alrestatin bound to C298A/W219Y mutant human aldose reductase | x-ray diffraction | A | — | — |
| 1AZ2 | Citrate bound, C298A/W219Y mutant human aldose reductase | x-ray diffraction | A | — | — |
| 1AZ2 | Citrate bound, C298A/W219Y mutant human aldose reductase | x-ray diffraction | A | — | — |
| 1EF3 | Fidarestat bound to human aldose reductase | x-ray diffraction | A, B | — | — |
| 1EF3 | Fidarestat bound to human aldose reductase | x-ray diffraction | A, B | — | — |
| 1EL3 | Human aldose reductase complexed with IDD384 inhibitor | x-ray diffraction | A | — | — |
| 1EL3 | Human aldose reductase complexed with IDD384 inhibitor | x-ray diffraction | A | — | — |
| 1IEI | Crystal structure of human aldose reductase complexed with the inhibitor zenarestat. | x-ray diffraction | A | — | — |
| 1IEI | Crystal structure of human aldose reductase complexed with the inhibitor zenarestat. | x-ray diffraction | A | — | — |
| 1MAR | Refined 1.8 ångströms structure of human aldose reductase complexed with the potent inhibitor… | x-ray diffraction | A | — | — |
| 1MAR | Refined 1.8 ångströms structure of human aldose reductase complexed with the potent inhibitor… | x-ray diffraction | A | — | — |
| 1PWL | Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat | x-ray diffraction | A | — | — |
| 1PWL | Crystal structure of human aldose reductase complexed with NADP and minalrestat | x-ray diffraction | A | — | — |
| 1PWM | Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat | x-ray diffraction | A | — | — |
| 1PWM | Crystal structure of human aldose reductase complexed with NADP and fidarestat | x-ray diffraction | A | — | — |
| 1T40 | Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5 | x-ray diffraction | A | — | — |
| 1T40 | Crystal structure of human aldose reductase complexed with NADP and IDD552 at pH 5 | x-ray diffraction | A | — | — |
| 1T41 | Crystal structure of human aldose reductase complexed with NADP and IDD552 | x-ray diffraction | A | — | — |
| 1T41 | Crystal structure of human aldose reductase complexed with NADP and IDD552 | x-ray diffraction | A | — | — |
| 1US0 | Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | x-ray diffraction | A | — | — |
| 1US0 | Human aldose reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 ångström | x-ray diffraction | A | — | — |
| 1X96 | Crystal structure of Aldose Reductase with citrates bound in the active site | x-ray diffraction | A | — | — |
| 1X96 | Crystal structure of aldose reductase with citrates bound in the active site | x-ray diffraction | A | — | — |
| 1X97 | Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S) | x-ray diffraction | A | — | — |
| 1X97 | Crystal structure of aldose reductase complexed with 2R4S (stereoisomer of fidarestat, 2S4S) | x-ray diffraction | A | — | — |
| 1X98 | Crystal structure of Aldose Reductase complexed with 2S4R (Stereoisomer of Fidarestat, 2S4S) | x-ray diffraction | A | — | — |
| 1X98 | Crystal structure of aldose reductase complexed with 2S4R (stereoisomer of fidarestat, 2S4S) | x-ray diffraction | A | — | — |
| 1XGD | Apo R268A human aldose reductase | x-ray diffraction | A | — | — |
| 1XGD | Apo R268A human aldose reductase | x-ray diffraction | A | — | — |
| 2ACQ | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACQ | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACR | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACR | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACS | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACS | An anion binding site in human aldose reductase: mechanistic implications for the binding of… | x-ray diffraction | A | — | — |
| 2ACU | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in… | x-ray diffraction | A | — | — |
| 2ACU | Tyrosine-48 is the proton donor and histidine-110 directs substrate stereochemical selectivity in… | x-ray diffraction | A | — | — |
| 2AGT | Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat | x-ray diffraction | A | — | — |
| 2AGT | Aldose reductase mutant leu 300 pro complexed with fidarestat | x-ray diffraction | A | — | — |
| 2DUX | Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking… | x-ray diffraction | A | — | — |
| 2DUX | Crystal structure of human aldose reductase complexed with zopolrestat after 3 days soaking… | x-ray diffraction | A | — | — |
| 2DUZ | Human Aldose Reductase complexed with inhibitor zopolrestat after 3 days soaking (3days_soaked_2) | x-ray diffraction | A | — | — |
| 2DUZ | Human aldose reductase complexed with inhibitor zopolrestat after 3 days soaking (3DAYS_SOAKED_2) | x-ray diffraction | A | — | — |
| 2DV0 | Human Aldose Reductase complexed with zopolrestat after 6 days soaking(6days_soaked_2) | x-ray diffraction | A | — | — |
| 2DV0 | Human aldose reductase complexed with zopolrestat after 6 days SOAKING(6DAYS_SOAKED_2) | x-ray diffraction | A | — | — |
| 2F2K | Aldose reductase tertiary complex with NADPH and DEG | x-ray diffraction | A | — | — |
| 2F2K | Aldose reductase tertiary complex with NADPH and deg | x-ray diffraction | A | — | — |
| 2FZ8 | Human Aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | x-ray diffraction | A | — | — |
| 2FZ8 | Human aldose reductase complexed with inhibitor zopolrestat at 1.48 A(1 day soaking). | x-ray diffraction | A | — | — |
| 2FZ9 | Human Aldose Reductase complexed with inhibitor zopolrestat after six days soaking. | x-ray diffraction | A | — | — |
| 2FZ9 | Human aldose reductase complexed with inhibitor zopolrestat after six days soaking. | x-ray diffraction | A | — | — |
| 2HV5 | Human Aldose Reductase complexed with inhibitor zopolrestat after three days soaking… | x-ray diffraction | A | — | — |
| 2HV5 | Human aldose reductase complexed with inhibitor zopolrestat after three days soaking… | x-ray diffraction | A | — | — |
| 2HVN | Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day… | x-ray diffraction | A | — | — |
| 2HVN | Human aldose reductase-zopolrestat complex obtained by cocrystallisation after one day… | x-ray diffraction | A | — | — |
238 records more on the page itself.
Ligands
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · in 39 records
- 4G7 · 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl) benzoic acid · in 8 records
- 30L · {5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid · in 5 records
- AV5 · 2-[5-(4-chlorophenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid · in 2 records
- AVT · 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid · in 2 records
- M0K · 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid · in 2 records
- 2WR · (2-carbamoyl-5-fluorophenoxy)acetic acid · in 1 record
- 48I · [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid · in 1 record
- AW8 · 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid · in 1 record
- LZO · 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid · in 1 record
- NXK · 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid · in 1 record
- NXQ · 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$L^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid · in 1 record
- QXO · 2-(6-fluoranylindol-1-yl)ethanoic acid · in 1 record
- SO4 · Sulfate ion · in 1 record
- WY1 · 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid · in 1 record
- XY0 · {7-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-8-oxo-7,8-dihydropyrazino[2,3-d]pyridazin-5-yl}acetic acid · in 1 record
Experiment against prediction
- 4PRR chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 4PRR chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 4PR4 chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 4PR4 chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 2PDG chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 2PDG chain A against the predicted model P15121: TM-score 1.00, RMSD 0.19 Å
- 6T7Q chain A against the predicted model P15121: TM-score 1.00, RMSD 0.20 Å
- 3GHR chain A against the predicted model P15121: TM-score 1.00, RMSD 0.21 Å
- 3GHR chain A against the predicted model P15121: TM-score 1.00, RMSD 0.21 Å
- 4QBX chain A against the predicted model P15121: TM-score 1.00, RMSD 0.21 Å
Elsewhere
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