3OJF
Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0030497 | biological_process | fatty acid elongation |
| A | 0036094 | molecular_function | small molecule binding |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0070401 | molecular_function | NADP+ binding |
| A | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| A | 1902494 | cellular_component | catalytic complex |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0030497 | biological_process | fatty acid elongation |
| B | 0036094 | molecular_function | small molecule binding |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0070401 | molecular_function | NADP+ binding |
| B | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| B | 1902494 | cellular_component | catalytic complex |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0030497 | biological_process | fatty acid elongation |
| C | 0036094 | molecular_function | small molecule binding |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0070401 | molecular_function | NADP+ binding |
| C | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| C | 1902494 | cellular_component | catalytic complex |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0030497 | biological_process | fatty acid elongation |
| D | 0036094 | molecular_function | small molecule binding |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0070401 | molecular_function | NADP+ binding |
| D | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| D | 1902494 | cellular_component | catalytic complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE IMJ A 801 |
| Chain | Residue |
| A | PHE96 |
| A | ALA97 |
| A | TYR147 |
| A | VAL154 |
| A | TYR157 |
| A | SER197 |
| A | HOH271 |
| A | NDP501 |
| site_id | AC2 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP A 501 |
| Chain | Residue |
| A | ALA15 |
| A | SER19 |
| A | ILE20 |
| A | ALA40 |
| A | LEU44 |
| A | CYS65 |
| A | ASP66 |
| A | VAL67 |
| A | CYS93 |
| A | ILE94 |
| A | ALA95 |
| A | ILE120 |
| A | LEU145 |
| A | THR146 |
| A | TYR147 |
| A | LYS164 |
| A | ALA190 |
| A | GLY191 |
| A | PRO192 |
| A | ILE193 |
| A | THR195 |
| A | LEU196 |
| A | SER197 |
| A | HOH267 |
| A | HOH313 |
| A | HOH314 |
| A | HOH315 |
| A | HOH325 |
| A | IMJ801 |
| A | GLY13 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE IMJ D 802 |
| Chain | Residue |
| D | PHE96 |
| D | ALA97 |
| D | TYR147 |
| D | ASN156 |
| D | TYR157 |
| D | PRO192 |
| D | SER197 |
| D | VAL201 |
| D | HOH272 |
| D | NDP502 |
| site_id | AC4 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NDP D 502 |
| Chain | Residue |
| D | GLY13 |
| D | ALA15 |
| D | SER19 |
| D | ILE20 |
| D | ALA40 |
| D | ARG43 |
| D | LEU44 |
| D | CYS65 |
| D | ASP66 |
| D | VAL67 |
| D | CYS93 |
| D | ILE94 |
| D | ALA95 |
| D | ILE120 |
| D | LEU145 |
| D | THR146 |
| D | TYR147 |
| D | LYS164 |
| D | ALA190 |
| D | GLY191 |
| D | PRO192 |
| D | ILE193 |
| D | THR195 |
| D | SER197 |
| D | HOH270 |
| D | HOH273 |
| D | HOH337 |
| D | HOH338 |
| D | HOH339 |
| D | HOH340 |
| D | IMJ802 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE IMJ B 803 |
| Chain | Residue |
| B | PHE96 |
| B | ALA97 |
| B | ARG99 |
| B | TYR147 |
| B | TYR157 |
| B | SER197 |
| B | VAL201 |
| B | HOH291 |
| B | HOH300 |
| B | NDP503 |
| site_id | AC6 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP B 503 |
| Chain | Residue |
| B | ALA95 |
| B | ILE120 |
| B | LEU145 |
| B | THR146 |
| B | LYS164 |
| B | ALA190 |
| B | GLY191 |
| B | PRO192 |
| B | ILE193 |
| B | THR195 |
| B | LEU196 |
| B | SER197 |
| B | HOH264 |
| B | HOH282 |
| B | HOH286 |
| B | HOH287 |
| B | IMJ803 |
| B | GLY13 |
| B | ALA15 |
| B | SER19 |
| B | ILE20 |
| B | LEU44 |
| B | CYS65 |
| B | ASP66 |
| B | VAL67 |
| B | CYS93 |
| B | ILE94 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE IMJ C 804 |
| Chain | Residue |
| C | PHE96 |
| C | ALA97 |
| C | TYR147 |
| C | ASN156 |
| C | TYR157 |
| C | PRO192 |
| C | SER197 |
| C | HOH307 |
| C | NDP504 |
| site_id | AC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP C 504 |
| Chain | Residue |
| C | GLY13 |
| C | VAL14 |
| C | ALA15 |
| C | SER19 |
| C | ILE20 |
| C | ALA40 |
| C | LEU44 |
| C | CYS65 |
| C | ASP66 |
| C | VAL67 |
| C | CYS93 |
| C | ILE94 |
| C | ALA95 |
| C | ILE120 |
| C | LEU145 |
| C | THR146 |
| C | TYR147 |
| C | LYS164 |
| C | ALA190 |
| C | GLY191 |
| C | PRO192 |
| C | ILE193 |
| C | THR195 |
| C | LEU196 |
| C | SER197 |
| C | HOH269 |
| C | HOH296 |
| C | HOH310 |
| C | HOH312 |
| C | IMJ804 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000250 |
| Chain | Residue | Details |
| A | TYR147 | |
| D | TYR147 | |
| B | TYR147 | |
| C | TYR147 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor |
| Chain | Residue | Details |
| A | TYR157 | |
| D | TYR157 | |
| B | TYR157 | |
| C | TYR157 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20800575 |
| Chain | Residue | Details |
| A | LYS164 | |
| A | ILE193 | |
| D | GLY13 | |
| D | SER19 | |
| D | ASP66 | |
| D | ILE94 | |
| D | LYS164 | |
| D | ILE193 | |
| B | GLY13 | |
| B | SER19 | |
| B | ASP66 | |
| B | ILE94 | |
| B | LYS164 | |
| B | ILE193 | |
| C | GLY13 | |
| C | SER19 | |
| C | ASP66 | |
| C | ILE94 | |
| C | LYS164 | |
| C | ILE193 | |
| A | GLY13 | |
| A | SER19 | |
| A | ASP66 | |
| A | ILE94 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ALA97 | |
| D | ALA97 | |
| B | ALA97 | |
| C | ALA97 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | SITE: Involved in acyl-ACP binding => ECO:0000250 |
| Chain | Residue | Details |
| A | ASN205 | |
| D | ASN205 | |
| B | ASN205 | |
| C | ASN205 |
