1AHI
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| A | 0008709 | molecular_function | cholate 7-alpha-dehydrogenase activity |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0030573 | biological_process | bile acid catabolic process |
| A | 0032991 | cellular_component | protein-containing complex |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0051287 | molecular_function | NAD binding |
| A | 0106281 | molecular_function | chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0008709 | molecular_function | cholate 7-alpha-dehydrogenase activity |
| B | 0016042 | biological_process | lipid catabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0030573 | biological_process | bile acid catabolic process |
| B | 0032991 | cellular_component | protein-containing complex |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0051287 | molecular_function | NAD binding |
| B | 0106281 | molecular_function | chenodeoxycholate 7-alpha-dehydrogenase (NAD+) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CHO A 301 |
| Chain | Residue |
| A | GLY99 |
| A | NAI302 |
| A | HOH411 |
| A | SER146 |
| A | ALA148 |
| A | ASN151 |
| A | TYR159 |
| A | ALA196 |
| A | LEU197 |
| A | VAL200 |
| A | GLN252 |
| site_id | AC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE NAI A 302 |
| Chain | Residue |
| A | GLY18 |
| A | ALA21 |
| A | GLY22 |
| A | ILE23 |
| A | ASP42 |
| A | ILE43 |
| A | CYS67 |
| A | ASP68 |
| A | ILE69 |
| A | ASN95 |
| A | GLY97 |
| A | ILE144 |
| A | THR145 |
| A | TYR159 |
| A | LYS163 |
| A | PRO189 |
| A | GLY190 |
| A | ILE192 |
| A | THR194 |
| A | ALA196 |
| A | CHO301 |
| A | HOH431 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE CHO B 301 |
| Chain | Residue |
| B | GLY98 |
| B | GLY99 |
| B | SER146 |
| B | ALA148 |
| B | ASN151 |
| B | TYR159 |
| B | ALA196 |
| B | LEU197 |
| B | VAL200 |
| B | MET209 |
| B | GLN252 |
| B | NAI302 |
| B | HOH448 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAI B 302 |
| Chain | Residue |
| B | GLY18 |
| B | ALA21 |
| B | GLY22 |
| B | ILE23 |
| B | ASP42 |
| B | ILE43 |
| B | CYS67 |
| B | ASP68 |
| B | ILE69 |
| B | ASN95 |
| B | ILE144 |
| B | THR145 |
| B | TYR159 |
| B | LYS163 |
| B | PRO189 |
| B | GLY190 |
| B | ILE192 |
| B | THR194 |
| B | ALA196 |
| B | CHO301 |
| B | HOH405 |
| B | HOH436 |
| B | HOH450 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SmaaenkninMtsYASSKAAAsHLVrNMA |
| Chain | Residue | Details |
| A | SER146-ALA174 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 |
| Chain | Residue | Details |
| A | TYR159 | |
| B | TYR159 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC |
| Chain | Residue | Details |
| A | ILE23 | |
| B | TYR159 | |
| A | GLY99 | |
| A | SER146 | |
| A | ASN151 | |
| A | TYR159 | |
| B | ILE23 | |
| B | GLY99 | |
| B | SER146 | |
| B | ASN151 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC |
| Chain | Residue | Details |
| A | ASP42 | |
| B | ILE192 | |
| A | ASP68 | |
| A | ASN95 | |
| A | LYS163 | |
| A | ILE192 | |
| B | ASP42 | |
| B | ASP68 | |
| B | ASN95 | |
| B | LYS163 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 |
| Chain | Residue | Details |
| A | SER146 | |
| B | SER146 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | SITE: Lowers pKa of active site Tyr => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 |
| Chain | Residue | Details |
| A | LYS163 | |
| B | LYS163 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | ASN118 | |
| A | SER146 | |
| A | TYR159 | |
| A | LYS163 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | ASN118 | |
| B | SER146 | |
| B | TYR159 | |
| B | LYS163 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | MET156 | |
| A | LYS163 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | MET156 | |
| B | LYS163 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| A | TYR159 | |
| A | LYS163 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ybv |
| Chain | Residue | Details |
| B | TYR159 | |
| B | LYS163 |
