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 |