1AFS
RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE
Functional Information from GO Data
Chain | GOid | namespace | contents |
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 | 0008202 | biological_process | steroid metabolic process |
A | 0016229 | molecular_function | steroid dehydrogenase activity |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0021766 | biological_process | hippocampus development |
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 | 0047023 | molecular_function | androsterone dehydrogenase activity |
A | 0047042 | molecular_function | androsterone dehydrogenase (B-specific) activity |
A | 0047086 | molecular_function | ketosteroid monooxygenase activity |
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 | 0008202 | biological_process | steroid metabolic process |
B | 0016229 | molecular_function | steroid dehydrogenase activity |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0021766 | biological_process | hippocampus development |
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 | 0047023 | molecular_function | androsterone dehydrogenase activity |
B | 0047042 | molecular_function | androsterone dehydrogenase (B-specific) activity |
B | 0047086 | molecular_function | ketosteroid monooxygenase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE NAP A 324 |
Chain | Residue |
A | GLY22 |
A | GLN190 |
A | TYR216 |
A | CYS217 |
A | THR218 |
A | LEU219 |
A | GLY220 |
A | SER221 |
A | SER222 |
A | TRP227 |
A | ALA253 |
A | THR23 |
A | ARG270 |
A | SER271 |
A | PHE272 |
A | ARG276 |
A | GLU279 |
A | LEU280 |
A | TES325 |
A | HOH332 |
A | HOH342 |
A | THR24 |
A | ASP50 |
A | TYR55 |
A | LYS84 |
A | HIS117 |
A | SER166 |
A | ASN167 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE TES A 325 |
Chain | Residue |
A | TYR55 |
A | HIS117 |
A | THR226 |
A | TRP227 |
A | TYR310 |
A | NAP324 |
site_id | AC3 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE NAP B 324 |
Chain | Residue |
A | HIS134 |
B | GLY22 |
B | THR23 |
B | THR24 |
B | ASP50 |
B | TYR55 |
B | LYS84 |
B | HIS117 |
B | SER166 |
B | ASN167 |
B | GLN190 |
B | TYR216 |
B | CYS217 |
B | THR218 |
B | LEU219 |
B | GLY220 |
B | SER221 |
B | SER222 |
B | TRP227 |
B | ALA253 |
B | ARG270 |
B | SER271 |
B | PHE272 |
B | ARG276 |
B | GLU279 |
B | LEU280 |
B | TES325 |
B | HOH333 |
B | HOH343 |
B | HOH352 |
B | HOH353 |
B | HOH355 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE TES B 325 |
Chain | Residue |
B | TYR55 |
B | HIS117 |
B | THR226 |
B | TRP227 |
B | TYR310 |
B | NAP324 |
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. LIRSFNakRIkELtQV |
Chain | Residue | Details |
A | LEU268-VAL283 |
site_id | PS00798 |
Number of Residues | 18 |
Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GFRHFDSAylyevEeeVG |
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:9261071 |
Chain | Residue | Details |
A | GLY20 | |
B | GLN190 | |
B | TYR216 | |
B | ARG270 | |
A | ASP50 | |
A | SER166 | |
A | GLN190 | |
A | TYR216 | |
A | ARG270 | |
B | GLY20 | |
B | ASP50 | |
B | SER166 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: |
Chain | Residue | Details |
A | HIS117 | |
A | TRP227 | |
B | HIS117 | |
B | TRP227 |
site_id | SWS_FT_FI4 |
Number of Residues | 2 |
Details | SITE: Lowers pKa of active site Tyr => ECO:0000250 |
Chain | Residue | Details |
A | LYS84 | |
B | LYS84 |
site_id | SWS_FT_FI5 |
Number of Residues | 2 |
Details | MOD_RES: Blocked amino end (Met) |
Chain | Residue | Details |
A | MET1 | |
B | MET1 |
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 |