4CV1
Crystal structure of S. aureus FabI in complex with NADPH and CG400549
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 | 0042802 | molecular_function | identical protein binding |
| A | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| 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 | 0042802 | molecular_function | identical protein binding |
| B | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| 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 | 0042802 | molecular_function | identical protein binding |
| C | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| 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 | 0042802 | molecular_function | identical protein binding |
| D | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| E | 0006633 | biological_process | fatty acid biosynthetic process |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| F | 0006633 | biological_process | fatty acid biosynthetic process |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| G | 0006633 | biological_process | fatty acid biosynthetic process |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0042802 | molecular_function | identical protein binding |
| G | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| H | 0006633 | biological_process | fatty acid biosynthetic process |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0042802 | molecular_function | identical protein binding |
| H | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1257 |
| Chain | Residue |
| A | GLY202 |
| A | GLY203 |
| A | PHE204 |
| A | ASN205 |
| A | THR206 |
| A | HOH2057 |
| A | HOH2116 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 H 1358 |
| Chain | Residue |
| H | PHE204 |
| H | ASN205 |
| H | THR206 |
| H | HOH2040 |
| H | HOH3135 |
| H | GLY202 |
| H | GLY203 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1259 |
| Chain | Residue |
| A | SER69 |
| A | ASP70 |
| A | GLU71 |
| A | HOH2036 |
| C | ARG18 |
| C | ARG194 |
| C | LYS199 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1257 |
| Chain | Residue |
| B | GLY202 |
| B | GLY203 |
| B | PHE204 |
| B | ASN205 |
| B | THR206 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 1257 |
| Chain | Residue |
| E | VAL201 |
| E | GLY202 |
| E | GLY203 |
| E | PHE204 |
| E | ASN205 |
| E | THR206 |
| E | HOH2115 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 1258 |
| Chain | Residue |
| B | GLY140 |
| B | ASN182 |
| B | ARG184 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO H 1257 |
| Chain | Residue |
| H | GLY140 |
| H | ASN182 |
| H | ARG184 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO G 1257 |
| Chain | Residue |
| G | GLY202 |
| G | GLY203 |
| G | PHE204 |
| G | ASN205 |
| G | THR206 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO G 1358 |
| Chain | Residue |
| C | ASN56 |
| G | ALA0 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1270 |
| Chain | Residue |
| A | HOH2051 |
| D | GLY203 |
| D | PHE204 |
| D | ASN205 |
| D | THR206 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO C 1270 |
| Chain | Residue |
| C | GLY140 |
| C | ASN182 |
| C | ARG184 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL F 1357 |
| Chain | Residue |
| F | ARG40 |
| F | ARG43 |
| site_id | BC4 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP A 1260 |
| Chain | Residue |
| A | GLY13 |
| A | ILE14 |
| A | ALA15 |
| A | SER19 |
| A | ILE20 |
| A | ARG40 |
| A | ILE65 |
| A | ASP66 |
| A | VAL67 |
| A | SER93 |
| A | ILE94 |
| A | ALA95 |
| A | ILE120 |
| A | THR145 |
| A | THR146 |
| A | TYR147 |
| A | LYS164 |
| A | ALA190 |
| A | GLY191 |
| A | PRO192 |
| A | ILE193 |
| A | THR195 |
| A | SER197 |
| A | PT61261 |
| A | HOH2004 |
| A | HOH2006 |
| A | HOH2019 |
| site_id | BC5 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP H 1258 |
| Chain | Residue |
| H | TYR147 |
| H | LYS164 |
| H | ALA190 |
| H | PRO192 |
| H | ILE193 |
| H | THR195 |
| H | SER197 |
| H | PT61259 |
| H | HOH2005 |
| H | HOH2006 |
| H | HOH2008 |
| H | GLY13 |
| H | ILE14 |
| H | ALA15 |
| H | SER19 |
| H | ILE20 |
| H | ARG40 |
| H | LYS41 |
| H | ILE65 |
| H | ASP66 |
| H | VAL67 |
| H | SER93 |
| H | ILE94 |
| H | ALA95 |
| H | ILE120 |
| H | THR145 |
| H | THR146 |
| site_id | BC6 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP G 1259 |
| Chain | Residue |
| G | GLY13 |
| G | ILE14 |
| G | ALA15 |
| G | SER19 |
| G | ILE20 |
| G | ARG40 |
| G | LYS41 |
| G | SER44 |
| G | ILE65 |
| G | ASP66 |
| G | VAL67 |
| G | SER93 |
| G | ILE94 |
| G | ALA95 |
| G | ILE120 |
| G | THR145 |
| G | THR146 |
| G | TYR147 |
| G | LYS164 |
| G | ALA190 |
| G | PRO192 |
| G | ILE193 |
| G | THR195 |
| G | SER197 |
| G | PT61260 |
| G | HOH2004 |
| G | HOH2005 |
| G | HOH2006 |
| site_id | BC7 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP F 1258 |
| Chain | Residue |
| F | GLY13 |
| F | ILE14 |
| F | ALA15 |
| F | SER19 |
| F | ILE20 |
| F | ARG40 |
| F | LYS41 |
| F | ILE65 |
| F | ASP66 |
| F | VAL67 |
| F | SER93 |
| F | ILE94 |
| F | ALA95 |
| F | ILE120 |
| F | THR145 |
| F | THR146 |
| F | TYR147 |
| F | LYS164 |
| F | ALA190 |
| F | PRO192 |
| F | ILE193 |
| F | THR195 |
| F | SER197 |
| F | PHE204 |
| F | PT61259 |
| F | HOH2005 |
| F | HOH2006 |
| F | HOH2008 |
| F | HOH2019 |
| F | HOH2111 |
| site_id | BC8 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NDP E 1259 |
| Chain | Residue |
| E | GLY13 |
| E | ALA15 |
| E | SER19 |
| E | ILE20 |
| E | ARG40 |
| E | LYS41 |
| E | ILE65 |
| E | ASP66 |
| E | VAL67 |
| E | SER93 |
| E | ILE94 |
| E | ALA95 |
| E | ILE120 |
| E | THR145 |
| E | THR146 |
| E | TYR147 |
| E | LYS164 |
| E | ALA190 |
| E | GLY191 |
| E | PRO192 |
| E | ILE193 |
| E | THR195 |
| E | SER197 |
| E | PT61260 |
| E | HOH2006 |
| E | HOH2007 |
| E | HOH2008 |
| E | HOH2009 |
| E | HOH2010 |
| E | HOH2022 |
| E | HOH2138 |
| site_id | BC9 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP D 1257 |
| Chain | Residue |
| D | GLY13 |
| D | ILE14 |
| D | ALA15 |
| D | SER19 |
| D | ILE20 |
| D | ARG40 |
| D | LYS41 |
| D | ILE65 |
| D | ASP66 |
| D | VAL67 |
| D | SER93 |
| D | ILE94 |
| D | ALA95 |
| D | ILE120 |
| D | THR145 |
| D | THR146 |
| D | TYR147 |
| D | LYS164 |
| D | ALA190 |
| D | GLY191 |
| D | PRO192 |
| D | ILE193 |
| D | THR195 |
| D | SER197 |
| D | PT61258 |
| D | HOH2003 |
| D | HOH2004 |
| D | HOH2005 |
| D | HOH2087 |
| site_id | CC1 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP C 1258 |
| Chain | Residue |
| C | GLY13 |
| C | ILE14 |
| C | ALA15 |
| C | SER19 |
| C | ILE20 |
| C | ARG40 |
| C | ILE65 |
| C | ASP66 |
| C | VAL67 |
| C | SER93 |
| C | ILE94 |
| C | ALA95 |
| C | ILE120 |
| C | THR145 |
| C | THR146 |
| C | TYR147 |
| C | LYS164 |
| C | ALA190 |
| C | GLY191 |
| C | PRO192 |
| C | ILE193 |
| C | THR195 |
| C | SER197 |
| C | PT61259 |
| C | HOH2014 |
| C | HOH2016 |
| C | HOH2017 |
| C | HOH2030 |
| C | HOH2031 |
| site_id | CC2 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NDP B 1259 |
| Chain | Residue |
| B | GLY13 |
| B | ILE14 |
| B | ALA15 |
| B | SER19 |
| B | ILE20 |
| B | ARG40 |
| B | LYS41 |
| B | SER44 |
| B | ILE65 |
| B | ASP66 |
| B | VAL67 |
| B | SER93 |
| B | ILE94 |
| B | ALA95 |
| B | ILE120 |
| B | THR145 |
| B | THR146 |
| B | TYR147 |
| B | LYS164 |
| B | ALA190 |
| B | GLY191 |
| B | PRO192 |
| B | ILE193 |
| B | THR195 |
| B | LEU196 |
| B | SER197 |
| B | PT61260 |
| B | HOH2008 |
| B | HOH2009 |
| B | HOH2010 |
| B | HOH2011 |
| site_id | CC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PT6 A 1261 |
| Chain | Residue |
| A | ALA95 |
| A | PHE96 |
| A | ALA97 |
| A | LEU102 |
| A | TYR147 |
| A | GLN155 |
| A | TYR157 |
| A | MET160 |
| A | SER197 |
| A | VAL201 |
| A | GLY202 |
| A | PHE204 |
| A | ILE207 |
| A | NDP1260 |
| site_id | CC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PT6 B 1260 |
| Chain | Residue |
| B | ALA95 |
| B | PHE96 |
| B | ALA97 |
| B | LEU102 |
| B | TYR147 |
| B | GLN155 |
| B | TYR157 |
| B | SER197 |
| B | PHE204 |
| B | NDP1259 |
| site_id | CC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PT6 C 1259 |
| Chain | Residue |
| C | ALA95 |
| C | PHE96 |
| C | ALA97 |
| C | TYR147 |
| C | VAL154 |
| C | GLN155 |
| C | TYR157 |
| C | MET160 |
| C | SER197 |
| C | PHE204 |
| C | ILE207 |
| C | NDP1258 |
| site_id | CC6 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PT6 D 1258 |
| Chain | Residue |
| D | ALA95 |
| D | PHE96 |
| D | ALA97 |
| D | LEU102 |
| D | TYR147 |
| D | GLN155 |
| D | TYR157 |
| D | SER197 |
| D | PHE204 |
| D | ILE207 |
| D | NDP1257 |
| site_id | CC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PT6 E 1260 |
| Chain | Residue |
| E | ALA95 |
| E | PHE96 |
| E | ALA97 |
| E | MET99 |
| E | TYR147 |
| E | GLN155 |
| E | TYR157 |
| E | SER197 |
| E | PHE204 |
| E | NDP1259 |
| site_id | CC8 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PT6 F 1259 |
| Chain | Residue |
| F | ALA95 |
| F | PHE96 |
| F | ALA97 |
| F | LEU102 |
| F | TYR147 |
| F | GLN155 |
| F | TYR157 |
| F | MET160 |
| F | SER197 |
| F | VAL201 |
| F | GLY202 |
| F | PHE204 |
| F | ILE207 |
| F | NDP1258 |
| site_id | CC9 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE PT6 G 1260 |
| Chain | Residue |
| G | ALA95 |
| G | PHE96 |
| G | ALA97 |
| G | MET99 |
| G | LEU102 |
| G | TYR147 |
| G | GLN155 |
| G | TYR157 |
| G | MET160 |
| G | SER197 |
| G | GLY202 |
| G | PHE204 |
| G | ILE207 |
| G | NDP1259 |
| site_id | DC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PT6 H 1259 |
| Chain | Residue |
| H | ALA95 |
| H | PHE96 |
| H | ALA97 |
| H | LEU102 |
| H | TYR147 |
| H | GLN155 |
| H | TYR157 |
| H | MET160 |
| H | SER197 |
| H | GLY202 |
| H | PHE204 |
| H | NDP1258 |
| site_id | DC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO E 1261 |
| Chain | Residue |
| E | GLU42 |
| E | ARG43 |
| F | ARG103 |
