1CYD
CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006116 | biological_process | NADH oxidation |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006116 | biological_process | NADH oxidation |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0044281 | biological_process | small molecule metabolic process |
| C | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005759 | cellular_component | mitochondrial matrix |
| C | 0006116 | biological_process | NADH oxidation |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0044281 | biological_process | small molecule metabolic process |
| D | 0004090 | molecular_function | carbonyl reductase (NADPH) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005739 | cellular_component | mitochondrion |
| D | 0005759 | cellular_component | mitochondrial matrix |
| D | 0006116 | biological_process | NADH oxidation |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NDP A 245 |
| Chain | Residue |
| A | GLY14 |
| A | ASP60 |
| A | LEU61 |
| A | ASN83 |
| A | ALA85 |
| A | ARG102 |
| A | VAL106 |
| A | VAL134 |
| A | SER135 |
| A | SER136 |
| A | TYR149 |
| A | GLY16 |
| A | LYS153 |
| A | PRO179 |
| A | THR180 |
| A | VAL181 |
| A | VAL182 |
| A | THR184 |
| A | MET186 |
| A | GLY187 |
| A | IPA246 |
| A | HOH250 |
| A | LYS17 |
| A | HOH283 |
| A | HOH284 |
| A | HOH302 |
| A | HOH311 |
| A | HOH347 |
| A | HOH361 |
| A | GLY18 |
| A | ILE19 |
| A | THR38 |
| A | ARG39 |
| A | THR40 |
| A | VAL59 |
| site_id | AC2 |
| Number of Residues | 37 |
| Details | BINDING SITE FOR RESIDUE NDP B 245 |
| Chain | Residue |
| B | GLY14 |
| B | GLY16 |
| B | LYS17 |
| B | GLY18 |
| B | ILE19 |
| B | THR38 |
| B | ARG39 |
| B | THR40 |
| B | VAL59 |
| B | ASP60 |
| B | LEU61 |
| B | ASN83 |
| B | ALA84 |
| B | ALA85 |
| B | ARG102 |
| B | VAL106 |
| B | VAL134 |
| B | SER135 |
| B | SER136 |
| B | TYR149 |
| B | LYS153 |
| B | PRO179 |
| B | THR180 |
| B | VAL181 |
| B | VAL182 |
| B | THR184 |
| B | ASP185 |
| B | MET186 |
| B | GLY187 |
| B | IPA246 |
| B | HOH247 |
| B | HOH273 |
| B | HOH301 |
| B | HOH314 |
| B | HOH388 |
| B | HOH391 |
| B | HOH393 |
| site_id | AC3 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NDP C 245 |
| Chain | Residue |
| C | HOH280 |
| C | HOH285 |
| C | HOH293 |
| C | HOH305 |
| C | HOH382 |
| C | GLY14 |
| C | GLY16 |
| C | LYS17 |
| C | GLY18 |
| C | ILE19 |
| C | THR38 |
| C | ARG39 |
| C | THR40 |
| C | VAL59 |
| C | ASP60 |
| C | LEU61 |
| C | ASN83 |
| C | ALA85 |
| C | VAL106 |
| C | VAL134 |
| C | SER135 |
| C | TYR149 |
| C | LYS153 |
| C | PRO179 |
| C | THR180 |
| C | VAL181 |
| C | VAL182 |
| C | THR184 |
| C | MET186 |
| C | GLY187 |
| C | IPA246 |
| C | HOH248 |
| site_id | AC4 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NDP D 245 |
| Chain | Residue |
| D | GLY14 |
| D | GLY16 |
| D | LYS17 |
| D | GLY18 |
| D | ILE19 |
| D | THR38 |
| D | ARG39 |
| D | THR40 |
| D | VAL59 |
| D | ASP60 |
| D | LEU61 |
| D | ASN83 |
| D | ALA85 |
| D | VAL106 |
| D | VAL134 |
| D | SER135 |
| D | SER136 |
| D | TYR149 |
| D | LYS153 |
| D | PRO179 |
| D | THR180 |
| D | VAL181 |
| D | VAL182 |
| D | THR184 |
| D | MET186 |
| D | GLY187 |
| D | IPA246 |
| D | HOH248 |
| D | HOH253 |
| D | HOH340 |
| D | HOH353 |
| D | HOH364 |
| D | HOH394 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE IPA A 246 |
| Chain | Residue |
| A | SER136 |
| A | LEU146 |
| A | TYR149 |
| A | VAL190 |
| A | NDP245 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE IPA B 246 |
| Chain | Residue |
| B | SER136 |
| B | TYR149 |
| B | NDP245 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE IPA C 246 |
| Chain | Residue |
| C | SER136 |
| C | TYR149 |
| C | NDP245 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE IPA D 246 |
| Chain | Residue |
| D | SER136 |
| D | LEU146 |
| D | TYR149 |
| D | NDP245 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SmvahvtfpnLitYSSTKGAMtMLTkAMA |
| Chain | Residue | Details |
| A | SER136-ALA164 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | TYR149 | |
| B | TYR149 | |
| C | TYR149 | |
| D | TYR149 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8805511 |
| Chain | Residue | Details |
| A | LEU11 | |
| B | LEU11 | |
| C | LEU11 | |
| D | LEU11 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | SER136 | |
| B | SER136 | |
| C | SER136 | |
| D | SER136 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:21183079 |
| Chain | Residue | Details |
| A | SER42 | |
| A | SER176 | |
| B | SER42 | |
| B | SER176 | |
| C | SER42 | |
| C | SER176 | |
| D | SER42 | |
| D | SER176 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | SER136 | |
| A | TYR149 | |
| A | LYS153 |
| site_id | CSA10 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | LEU146 | |
| B | LYS153 |
| site_id | CSA11 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | LEU146 | |
| C | LYS153 |
| site_id | CSA12 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | LEU146 | |
| D | LYS153 |
| site_id | CSA13 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | TYR149 | |
| A | LYS153 |
| site_id | CSA14 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | TYR149 | |
| B | LYS153 |
| site_id | CSA15 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | TYR149 | |
| C | LYS153 |
| site_id | CSA16 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | TYR149 | |
| D | LYS153 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | SER136 | |
| B | TYR149 | |
| B | LYS153 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | SER136 | |
| C | TYR149 | |
| C | LYS153 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | SER136 | |
| D | TYR149 | |
| D | LYS153 |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | SER136 | |
| A | ASN107 | |
| A | TYR149 | |
| A | LYS153 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | SER136 | |
| B | ASN107 | |
| B | TYR149 | |
| B | LYS153 |
| site_id | CSA7 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | SER136 | |
| C | ASN107 | |
| C | TYR149 | |
| C | LYS153 |
| site_id | CSA8 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | SER136 | |
| D | ASN107 | |
| D | TYR149 | |
| D | LYS153 |
| site_id | CSA9 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | LEU146 | |
| A | LYS153 |
