1HDC
MECHANISM OF INHIBITION OF 3ALPHA,20BETA-HYDROXYSTEROID DEHYDROGENASE BY A LICORICE-DERIVED STEROIDAL INHIBITOR
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0008202 | biological_process | steroid metabolic process |
A | 0008207 | biological_process | C21-steroid hormone metabolic process |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
B | 0008202 | biological_process | steroid metabolic process |
B | 0008207 | biological_process | C21-steroid hormone metabolic process |
B | 0016491 | molecular_function | oxidoreductase activity |
B | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
C | 0008202 | biological_process | steroid metabolic process |
C | 0008207 | biological_process | C21-steroid hormone metabolic process |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
D | 0008202 | biological_process | steroid metabolic process |
D | 0008207 | biological_process | C21-steroid hormone metabolic process |
D | 0016491 | molecular_function | oxidoreductase activity |
D | 0047044 | molecular_function | androstan-3-alpha,17-beta-diol dehydrogenase activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 17 |
Details | BINDING SITE FOR RESIDUE CBO A 301 |
Chain | Residue |
A | SER91 |
A | THR185 |
A | MET189 |
A | THR190 |
A | THR193 |
A | TRP243 |
B | MET253 |
D | SER100 |
D | ARG103 |
A | THR92 |
A | GLY93 |
A | SER139 |
A | LEU146 |
A | LEU148 |
A | THR149 |
A | TYR152 |
A | MET184 |
site_id | AC2 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE CBO B 301 |
Chain | Residue |
B | SER91 |
B | THR92 |
B | GLY93 |
B | SER139 |
B | LEU146 |
B | LEU148 |
B | TYR152 |
B | GLY183 |
B | THR185 |
B | MET189 |
B | THR190 |
B | THR193 |
B | TRP243 |
B | HOH304 |
C | SER100 |
site_id | AC3 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE CBO C 301 |
Chain | Residue |
C | THR92 |
C | GLY93 |
C | SER139 |
C | LEU148 |
C | THR149 |
C | TYR152 |
C | PRO182 |
C | MET184 |
C | THR185 |
C | THR190 |
C | THR193 |
C | TRP243 |
site_id | AC4 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE CBO D 301 |
Chain | Residue |
D | SER91 |
D | THR92 |
D | GLY93 |
D | SER139 |
D | LEU148 |
D | THR149 |
D | TYR152 |
D | GLY183 |
D | MET184 |
D | THR193 |
D | TRP243 |
Functional Information from PROSITE/UniProt
site_id | PS00061 |
Number of Residues | 29 |
Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SaaglmglalTssYGASKWGVrGLSkLAA |
Chain | Residue | Details |
A | SER139-ALA167 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 4 |
Details | ACT_SITE: Proton acceptor |
Chain | Residue | Details |
A | TYR152 | |
B | TYR152 | |
C | TYR152 | |
D | TYR152 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: |
Chain | Residue | Details |
A | ILE10 | |
B | ILE10 | |
C | ILE10 | |
D | ILE10 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | SER139 | |
B | SER139 | |
C | SER139 | |
D | SER139 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 1 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
A | LEU143 |
site_id | CSA10 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
B | ASN111 | |
B | TYR152 | |
B | LYS156 | |
B | SER139 |
site_id | CSA11 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
C | ASN111 | |
C | TYR152 | |
C | LYS156 | |
C | SER139 |
site_id | CSA12 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
D | ASN111 | |
D | TYR152 | |
D | LYS156 | |
D | SER139 |
site_id | CSA13 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
A | LYS156 | |
A | THR149 |
site_id | CSA14 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
B | LYS156 | |
B | THR149 |
site_id | CSA15 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
C | LYS156 | |
C | THR149 |
site_id | CSA16 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
D | LYS156 | |
D | THR149 |
site_id | CSA17 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
A | TYR152 | |
A | LYS156 |
site_id | CSA18 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
B | TYR152 | |
B | LYS156 |
site_id | CSA19 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
C | TYR152 | |
C | LYS156 |
site_id | CSA2 |
Number of Residues | 1 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
B | LEU143 |
site_id | CSA20 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
D | TYR152 | |
D | LYS156 |
site_id | CSA3 |
Number of Residues | 1 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
C | LEU143 |
site_id | CSA4 |
Number of Residues | 1 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
D | LEU143 |
site_id | CSA5 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
A | TYR152 | |
A | LYS156 | |
A | SER139 |
site_id | CSA6 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
B | TYR152 | |
B | LYS156 | |
B | SER139 |
site_id | CSA7 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
C | TYR152 | |
C | LYS156 | |
C | SER139 |
site_id | CSA8 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
D | TYR152 | |
D | LYS156 | |
D | SER139 |
site_id | CSA9 |
Number of Residues | 4 |
Details | Annotated By Reference To The Literature 1eq2 |
Chain | Residue | Details |
A | ASN111 | |
A | TYR152 | |
A | LYS156 | |
A | SER139 |