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 | GLY13 | |
D | ILE94 | |
D | LYS164 | |
D | ILE193 | |
B | GLY13 | |
B | SER19 | |
B | ASP66 | |
B | ILE94 | |
B | LYS164 | |
B | ILE193 | |
C | GLY13 | |
A | SER19 | |
C | SER19 | |
C | ASP66 | |
C | ILE94 | |
C | LYS164 | |
C | ILE193 | |
A | ASP66 | |
A | ILE94 | |
A | LYS164 | |
A | ILE193 | |
D | GLY13 | |
D | SER19 | |
D | ASP66 |
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 |