3G1R
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| A | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| A | 0005496 | molecular_function | steroid binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006699 | biological_process | bile acid biosynthetic process |
| A | 0006707 | biological_process | cholesterol catabolic process |
| A | 0007586 | biological_process | digestion |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008207 | biological_process | C21-steroid hormone metabolic process |
| A | 0008209 | biological_process | androgen metabolic process |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016229 | molecular_function | steroid dehydrogenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0030573 | biological_process | bile acid catabolic process |
| A | 0047086 | molecular_function | ketosteroid monooxygenase activity |
| A | 0047787 | molecular_function | Delta4-3-oxosteroid 5beta-reductase activity |
| B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| B | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| B | 0005496 | molecular_function | steroid binding |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006699 | biological_process | bile acid biosynthetic process |
| B | 0006707 | biological_process | cholesterol catabolic process |
| B | 0007586 | biological_process | digestion |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0008207 | biological_process | C21-steroid hormone metabolic process |
| B | 0008209 | biological_process | androgen metabolic process |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016229 | molecular_function | steroid dehydrogenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0030573 | biological_process | bile acid catabolic process |
| B | 0047086 | molecular_function | ketosteroid monooxygenase activity |
| B | 0047787 | molecular_function | Delta4-3-oxosteroid 5beta-reductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAP A 944 |
| Chain | Residue |
| A | GLY24 |
| A | SER220 |
| A | PRO221 |
| A | LEU222 |
| A | GLY223 |
| A | THR224 |
| A | SER225 |
| A | LEU239 |
| A | ALA256 |
| A | ILE271 |
| A | PRO272 |
| A | THR25 |
| A | LYS273 |
| A | SER274 |
| A | PHE275 |
| A | ARG279 |
| A | GLU282 |
| A | ASN283 |
| A | HOH338 |
| A | HOH394 |
| A | HOH395 |
| A | HOH456 |
| A | TYR26 |
| A | HOH519 |
| A | HOH541 |
| A | HOH580 |
| A | HOH738 |
| A | ASP53 |
| A | TYR58 |
| A | SER169 |
| A | ASN170 |
| A | GLN193 |
| A | TYR219 |
| site_id | AC2 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE NAP B 943 |
| Chain | Residue |
| B | GLY24 |
| B | THR25 |
| B | TYR26 |
| B | ASP53 |
| B | TYR58 |
| B | SER169 |
| B | ASN170 |
| B | GLN193 |
| B | TYR219 |
| B | SER220 |
| B | PRO221 |
| B | LEU222 |
| B | GLY223 |
| B | THR224 |
| B | SER225 |
| B | LEU239 |
| B | ALA256 |
| B | ILE271 |
| B | PRO272 |
| B | LYS273 |
| B | SER274 |
| B | PHE275 |
| B | ARG279 |
| B | GLU282 |
| B | ASN283 |
| B | FIT327 |
| B | HOH387 |
| B | HOH418 |
| B | HOH422 |
| B | HOH426 |
| B | HOH459 |
| B | HOH460 |
| B | HOH529 |
| B | HOH534 |
| B | HOH558 |
| B | HOH598 |
| B | HOH623 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE FIT B 327 |
| Chain | Residue |
| B | TYR26 |
| B | TYR58 |
| B | TRP89 |
| B | GLU120 |
| B | TYR132 |
| B | TRP140 |
| B | TRP230 |
| B | HOH460 |
| B | HOH463 |
| B | NAP943 |
Functional Information from PROSITE/UniProt
| site_id | PS00062 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MeackdaglVKSLGVSNF |
| Chain | Residue | Details |
| A | MET154-PHE171 |
| site_id | PS00063 |
| Number of Residues | 16 |
| Details | ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSFNleRIkENfQI |
| Chain | Residue | Details |
| A | ILE271-ILE286 |
| site_id | PS00798 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHIDGAyiyqnEheVG |
| Chain | Residue | Details |
| A | GLY48-GLY65 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:18407998 |
| Chain | Residue | Details |
| A | TYR58 | |
| B | TYR58 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:18624455, ECO:0000269|PubMed:18848863, ECO:0000269|PubMed:19075558, ECO:0000269|PubMed:19515843, ECO:0000269|PubMed:22437839 |
| Chain | Residue | Details |
| A | GLY22 | |
| B | GLN193 | |
| B | TYR219 | |
| B | LYS273 | |
| A | ASP53 | |
| A | SER169 | |
| A | GLN193 | |
| A | TYR219 | |
| A | LYS273 | |
| B | GLY22 | |
| B | ASP53 | |
| B | SER169 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | TYR26 | |
| B | GLU120 | |
| B | TYR132 | |
| B | TRP230 | |
| A | TYR58 | |
| A | TRP89 | |
| A | GLU120 | |
| A | TYR132 | |
| A | TRP230 | |
| B | TYR26 | |
| B | TYR58 | |
| B | TRP89 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| A | TYR58 | |
| A | GLU120 | |
| A | LYS87 | |
| A | ASP53 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| B | TYR58 | |
| B | GLU120 | |
| B | LYS87 | |
| B | ASP53 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| A | TYR58 | |
| A | LYS87 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1mrq |
| Chain | Residue | Details |
| B | TYR58 | |
| B | LYS87 |
