1Q13
Crystal structure of rabbit 20alpha hyroxysteroid dehydrogenase in ternary complex with NADP and testosterone
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001516 | biological_process | prostaglandin biosynthetic process |
| A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006693 | biological_process | prostaglandin metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0032052 | molecular_function | bile acid binding |
| A | 0042448 | biological_process | progesterone metabolic process |
| A | 0044597 | biological_process | daunorubicin metabolic process |
| A | 0044598 | biological_process | doxorubicin metabolic process |
| A | 0047006 | molecular_function | 17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity |
| A | 0047023 | molecular_function | androsterone dehydrogenase activity |
| A | 0047086 | molecular_function | ketosteroid monooxygenase activity |
| A | 0050221 | molecular_function | prostaglandin-E2 9-reductase activity |
| B | 0001516 | biological_process | prostaglandin biosynthetic process |
| B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006693 | biological_process | prostaglandin metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0032052 | molecular_function | bile acid binding |
| B | 0042448 | biological_process | progesterone metabolic process |
| B | 0044597 | biological_process | daunorubicin metabolic process |
| B | 0044598 | biological_process | doxorubicin metabolic process |
| B | 0047006 | molecular_function | 17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity |
| B | 0047023 | molecular_function | androsterone dehydrogenase activity |
| B | 0047086 | molecular_function | ketosteroid monooxygenase activity |
| B | 0050221 | molecular_function | prostaglandin-E2 9-reductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 601 |
| Chain | Residue |
| A | SER11 |
| A | ASP12 |
| A | TYR184 |
| A | LYS185 |
| A | HOH688 |
| A | HOH749 |
| site_id | AC2 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAP A 401 |
| Chain | Residue |
| A | ASP50 |
| A | TYR55 |
| A | HIS117 |
| A | SER166 |
| A | ASN167 |
| A | GLN190 |
| A | TYR216 |
| A | SER217 |
| A | LEU219 |
| A | GLY220 |
| A | SER221 |
| A | HIS222 |
| A | LEU236 |
| A | ALA253 |
| A | LEU268 |
| A | LYS270 |
| A | SER271 |
| A | PHE272 |
| A | THR273 |
| A | ARG276 |
| A | GLU279 |
| A | ASN280 |
| A | TES501 |
| A | HOH602 |
| A | HOH618 |
| A | HOH634 |
| A | GLY22 |
| A | THR23 |
| A | TYR24 |
| site_id | AC3 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAP B 402 |
| Chain | Residue |
| B | GLY22 |
| B | THR23 |
| B | TYR24 |
| B | ASP50 |
| B | TYR55 |
| B | HIS117 |
| B | SER166 |
| B | ASN167 |
| B | GLN190 |
| B | TYR216 |
| B | SER217 |
| B | ALA218 |
| B | LEU219 |
| B | GLY220 |
| B | SER221 |
| B | HIS222 |
| B | ALA253 |
| B | LEU268 |
| B | LYS270 |
| B | SER271 |
| B | PHE272 |
| B | THR273 |
| B | ARG276 |
| B | GLU279 |
| B | ASN280 |
| B | HOH424 |
| B | HOH445 |
| B | HOH457 |
| B | HOH499 |
| B | HOH511 |
| B | HOH582 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE TES A 501 |
| Chain | Residue |
| A | TYR24 |
| A | TYR55 |
| A | HIS117 |
| A | PRO225 |
| A | NAP401 |
Functional Information from PROSITE/UniProt
| site_id | PS00062 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF |
| Chain | Residue | Details |
| A | MET151-PHE168 |
| site_id | PS00063 |
| Number of Residues | 16 |
| Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSFTekRIkENiQV |
| Chain | Residue | Details |
| A | LEU268-VAL283 |
| site_id | PS00798 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GFRHIDSAyfyknEkeVG |
| Chain | Residue | Details |
| A | GLY45-GLY62 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor |
| Chain | Residue | Details |
| A | TYR55 | |
| B | TYR55 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15123423 |
| Chain | Residue | Details |
| A | THR23 | |
| B | GLN190 | |
| B | TYR216 | |
| B | LYS270 | |
| A | ASP50 | |
| A | SER166 | |
| A | GLN190 | |
| A | TYR216 | |
| A | LYS270 | |
| B | THR23 | |
| B | ASP50 | |
| B | SER166 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | TYR24 | |
| A | HIS117 | |
| B | TYR24 | |
| B | HIS117 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Required for substrate specificity |
| Chain | Residue | Details |
| A | PHE54 | |
| B | PHE54 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Lowers pKa of active site Tyr => ECO:0000250 |
| Chain | Residue | Details |
| A | LYS84 | |
| B | LYS84 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| A | LYS84 | |
| A | HIS117 | |
| A | ASP50 | |
| A | TYR55 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| B | LYS84 | |
| B | HIS117 | |
| B | ASP50 | |
| B | TYR55 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| A | LYS84 | |
| A | TYR55 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| B | LYS84 | |
| B | TYR55 |
