4D41
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol
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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE JA1 B 1257 |
Chain | Residue |
B | ALA95 |
B | VAL201 |
B | GLY202 |
B | NAP1259 |
B | PHE96 |
B | ALA97 |
B | LEU102 |
B | TYR147 |
B | GLN155 |
B | TYR157 |
B | MET160 |
B | SER197 |
site_id | AC2 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE JA1 C 1257 |
Chain | Residue |
C | ALA95 |
C | PHE96 |
C | ALA97 |
C | LEU102 |
C | TYR147 |
C | VAL154 |
C | GLN155 |
C | TYR157 |
C | MET160 |
C | SER197 |
C | VAL201 |
C | PHE204 |
C | ILE207 |
C | NAP1261 |
site_id | AC3 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE JA1 C 1258 |
Chain | Residue |
C | HOH2122 |
D | ALA95 |
D | PHE96 |
D | ALA97 |
D | LEU102 |
D | VAL154 |
D | GLN155 |
D | TYR157 |
D | MET160 |
D | SER197 |
D | NAP1258 |
site_id | AC4 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE JA1 E 1257 |
Chain | Residue |
E | ALA95 |
E | PHE96 |
E | ALA97 |
E | LEU102 |
E | TYR147 |
E | GLN155 |
E | TYR157 |
E | MET160 |
E | SER197 |
E | ALA198 |
E | VAL201 |
E | GLY202 |
E | NAP1261 |
site_id | AC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE JA1 E 1258 |
Chain | Residue |
F | ALA95 |
F | PHE96 |
F | ALA97 |
F | LEU102 |
F | TYR147 |
F | GLN155 |
F | TYR157 |
F | MET160 |
F | SER197 |
F | VAL201 |
F | NAP1259 |
site_id | AC6 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE JA1 G 1257 |
Chain | Residue |
G | ALA95 |
G | PHE96 |
G | ALA97 |
G | LEU102 |
G | TYR147 |
G | GLN155 |
G | TYR157 |
G | SER197 |
G | NAP1260 |
site_id | AC7 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE JA1 H 1257 |
Chain | Residue |
H | ALA95 |
H | PHE96 |
H | ALA97 |
H | LEU102 |
H | VAL154 |
H | GLN155 |
H | ASN156 |
H | TYR157 |
H | MET160 |
H | SER197 |
H | VAL201 |
H | NAP1259 |
site_id | AC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GLU B 1001 |
Chain | Residue |
B | ARG103 |
B | GLY202 |
B | GLY203 |
B | PHE204 |
B | ASN205 |
B | THR206 |
G | HOH2105 |
site_id | AC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE MPD A 1257 |
Chain | Residue |
A | ASP88 |
A | GLY140 |
A | ASN182 |
A | ARG184 |
A | LEU234 |
A | ASP236 |
A | HOH2133 |
site_id | BC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE GLU C 1259 |
Chain | Residue |
C | PHE204 |
C | ASN205 |
C | THR206 |
site_id | BC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GLU F 1257 |
Chain | Residue |
C | LYS199 |
F | ARG103 |
F | GLY202 |
F | GLY203 |
F | ASN205 |
site_id | BC3 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE MRD B 1258 |
Chain | Residue |
B | LYS7 |
B | TYR9 |
B | GLY140 |
B | ARG184 |
B | LEU234 |
B | ASP236 |
B | HOH2043 |
B | HOH2113 |
site_id | BC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU E 1259 |
Chain | Residue |
A | LYS199 |
E | ARG103 |
E | VAL201 |
E | GLY203 |
E | PHE204 |
E | ASN205 |
site_id | BC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE MPD C 1260 |
Chain | Residue |
C | ASP88 |
C | GLY140 |
C | ARG184 |
C | LEU234 |
C | SER235 |
C | ASP236 |
site_id | BC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GLU G 1258 |
Chain | Residue |
G | GLY203 |
G | PHE204 |
G | ASN205 |
G | THR206 |
site_id | BC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE MPD D 1257 |
Chain | Residue |
D | LYS7 |
D | ASP88 |
D | GLY140 |
D | ARG184 |
D | LEU234 |
D | SER235 |
D | ASP236 |
D | SER239 |
site_id | BC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE MPD E 1260 |
Chain | Residue |
E | LYS7 |
E | ASP88 |
E | GLY140 |
E | ARG184 |
E | LEU234 |
E | ASP236 |
E | HOH2057 |
E | HOH2079 |
site_id | BC9 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE MPD F 1258 |
Chain | Residue |
F | LYS7 |
F | ASP88 |
F | GLY140 |
F | ASN182 |
F | ARG184 |
F | LEU234 |
F | SER235 |
F | ASP236 |
site_id | CC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE MPD G 1259 |
Chain | Residue |
G | LYS7 |
G | GLY140 |
G | ARG184 |
G | LEU234 |
G | ASP236 |
site_id | CC2 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE MPD H 1258 |
Chain | Residue |
H | LYS7 |
H | ASP88 |
H | GLY140 |
H | ASN182 |
H | ARG184 |
H | LEU234 |
H | SER235 |
H | ASP236 |
H | HOH2036 |
H | HOH2078 |
site_id | CC3 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP A 1258 |
Chain | Residue |
A | GLY13 |
A | ILE14 |
A | ALA15 |
A | SER19 |
A | ILE20 |
A | ARG40 |
A | LYS41 |
A | SER44 |
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 | JA11259 |
A | HOH2005 |
A | HOH2006 |
A | HOH2007 |
A | HOH2009 |
E | GLU100 |
site_id | CC4 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NAP 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 | SER197 |
B | JA11257 |
B | HOH2006 |
B | HOH2007 |
B | HOH2008 |
B | HOH2010 |
site_id | CC5 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NAP C 1261 |
Chain | Residue |
C | GLY13 |
C | ILE14 |
C | ALA15 |
C | SER19 |
C | ILE20 |
C | ARG40 |
C | LYS41 |
C | SER44 |
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 | JA11257 |
C | HOH2006 |
C | HOH2007 |
C | HOH2008 |
C | HOH2010 |
site_id | CC6 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NAP D 1258 |
Chain | Residue |
C | JA11258 |
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 | LEU196 |
D | SER197 |
D | HOH2007 |
D | HOH2008 |
D | HOH2009 |
D | HOH2082 |
site_id | CC7 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE NAP E 1261 |
Chain | Residue |
A | GLU100 |
A | HOH2062 |
E | GLY13 |
E | ILE14 |
E | ALA15 |
E | SER19 |
E | ILE20 |
E | ARG40 |
E | LYS41 |
E | SER44 |
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 | JA11257 |
E | HOH2006 |
E | HOH2007 |
E | HOH2008 |
E | HOH2010 |
site_id | CC8 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NAP F 1259 |
Chain | Residue |
E | JA11258 |
F | GLY13 |
F | ILE14 |
F | ALA15 |
F | SER19 |
F | ILE20 |
F | ARG40 |
F | LYS41 |
F | SER44 |
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 | GLY191 |
F | PRO192 |
F | ILE193 |
F | THR195 |
F | SER197 |
F | HOH2005 |
F | HOH2006 |
F | HOH2007 |
F | HOH2009 |
site_id | CC9 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP G 1260 |
Chain | Residue |
B | GLU100 |
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 | GLY191 |
G | PRO192 |
G | ILE193 |
G | THR195 |
G | SER197 |
G | JA11257 |
G | HOH2007 |
G | HOH2008 |
G | HOH2010 |
G | HOH2012 |
site_id | DC1 |
Number of Residues | 29 |
Details | BINDING SITE FOR RESIDUE NAP H 1259 |
Chain | Residue |
H | GLY13 |
H | ILE14 |
H | ALA15 |
H | SER19 |
H | ILE20 |
H | ARG40 |
H | LYS41 |
H | SER44 |
H | ILE65 |
H | ASP66 |
H | VAL67 |
H | SER93 |
H | ILE94 |
H | ALA95 |
H | ILE120 |
H | THR145 |
H | THR146 |
H | TYR147 |
H | LYS164 |
H | ALA190 |
H | GLY191 |
H | PRO192 |
H | ILE193 |
H | THR195 |
H | SER197 |
H | JA11257 |
H | HOH2005 |
H | HOH2006 |
H | HOH2007 |
site_id | DC2 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE JA1 A 1259 |
Chain | Residue |
A | ALA95 |
A | PHE96 |
A | ALA97 |
A | LEU102 |
A | GLN155 |
A | TYR157 |
A | MET160 |
A | SER197 |
A | GLY202 |
A | ILE207 |
A | NAP1258 |