4ALJ
Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol
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 | 32 |
Details | BINDING SITE FOR RESIDUE NAP A 400 |
Chain | Residue |
A | GLY13 |
A | ASP66 |
A | VAL67 |
A | SER93 |
A | ILE94 |
A | ALA95 |
A | ILE120 |
A | THR145 |
A | THR146 |
A | TYR147 |
A | LYS164 |
A | ILE14 |
A | ALA190 |
A | GLY191 |
A | PRO192 |
A | ILE193 |
A | THR195 |
A | SER197 |
A | CH81258 |
A | HOH2012 |
A | HOH2013 |
A | HOH2014 |
A | ALA15 |
A | HOH2016 |
E | GLU100 |
E | HOH2077 |
A | SER19 |
A | ILE20 |
A | ARG40 |
A | LYS41 |
A | SER44 |
A | ILE65 |
site_id | AC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GLU A 1257 |
Chain | Residue |
A | ARG103 |
A | GLY203 |
A | PHE204 |
A | ASN205 |
A | THR206 |
A | HOH2094 |
E | LYS199 |
site_id | AC3 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE CH8 A 1258 |
Chain | Residue |
A | ALA95 |
A | LEU102 |
A | TYR147 |
A | TYR157 |
A | SER197 |
A | ALA198 |
A | PHE204 |
A | NAP400 |
site_id | AC4 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP B 400 |
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 | CH81258 |
B | HOH2012 |
B | HOH2013 |
B | HOH2014 |
B | HOH2016 |
B | HOH2178 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU B 1257 |
Chain | Residue |
B | ARG103 |
B | GLY203 |
B | PHE204 |
B | ASN205 |
B | THR206 |
G | LYS199 |
site_id | AC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE CH8 B 1258 |
Chain | Residue |
B | LEU102 |
B | TYR147 |
B | TYR157 |
B | MET160 |
B | SER197 |
B | ALA198 |
B | NAP400 |
site_id | AC7 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP C 400 |
Chain | Residue |
C | ILE65 |
C | ASP66 |
C | VAL67 |
C | SER93 |
C | ILE94 |
C | ALA95 |
C | ILE120 |
C | THR145 |
C | THR146 |
C | LYS164 |
C | ALA190 |
C | GLY191 |
C | PRO192 |
C | ILE193 |
C | THR195 |
C | SER197 |
C | CH81258 |
C | HOH2010 |
C | HOH2011 |
C | HOH2012 |
C | HOH2014 |
C | HOH2144 |
F | GLU100 |
C | GLY13 |
C | ILE14 |
C | ALA15 |
C | SER19 |
C | ILE20 |
C | ARG40 |
C | LYS41 |
C | SER44 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU C 1257 |
Chain | Residue |
C | ARG103 |
C | GLY203 |
C | PHE204 |
C | ASN205 |
C | HOH2127 |
C | HOH2130 |
site_id | AC9 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE CH8 C 1258 |
Chain | Residue |
C | ALA95 |
C | TYR147 |
C | TYR157 |
C | MET160 |
C | SER197 |
C | ALA198 |
C | VAL201 |
C | NAP400 |
site_id | BC1 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE NAP D 400 |
Chain | Residue |
D | GLY13 |
D | ILE14 |
D | ALA15 |
D | SER19 |
D | ILE20 |
D | ARG40 |
D | LYS41 |
D | SER44 |
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 | CH81257 |
D | HOH2009 |
D | HOH2010 |
D | HOH2011 |
D | HOH2012 |
D | HOH2024 |
D | HOH2105 |
site_id | BC2 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE CH8 D 1257 |
Chain | Residue |
D | ALA95 |
D | LEU102 |
D | TYR147 |
D | TYR157 |
D | LYS164 |
D | SER197 |
D | ALA198 |
D | VAL201 |
D | NAP400 |
site_id | BC3 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE NAP E 400 |
Chain | Residue |
A | GLU100 |
A | HOH2092 |
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 | CH81259 |
E | HOH2008 |
E | HOH2009 |
E | HOH2010 |
E | HOH2013 |
site_id | BC4 |
Number of Residues | 9 |
Details | BINDING SITE FOR RESIDUE GLU E 1257 |
Chain | Residue |
E | LYS7 |
E | ASP88 |
E | GLY140 |
E | ASN182 |
E | ARG184 |
E | LEU234 |
E | SER235 |
E | HOH2068 |
E | HOH2157 |
site_id | BC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU E 1258 |
Chain | Residue |
A | LYS199 |
E | ARG103 |
E | GLY203 |
E | PHE204 |
E | ASN205 |
E | HOH2136 |
site_id | BC6 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE CH8 E 1259 |
Chain | Residue |
E | ALA95 |
E | LEU102 |
E | TYR147 |
E | TYR157 |
E | SER197 |
E | ALA198 |
E | PHE204 |
E | NAP400 |
site_id | BC7 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP F 400 |
Chain | Residue |
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 | CH81258 |
F | HOH2016 |
F | HOH2017 |
F | HOH2018 |
F | HOH2020 |
F | HOH2165 |
site_id | BC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU F 1257 |
Chain | Residue |
C | LYS199 |
F | ARG103 |
F | GLY203 |
F | PHE204 |
F | ASN205 |
F | HOH2088 |
site_id | BC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE CH8 F 1258 |
Chain | Residue |
F | LEU102 |
F | TYR147 |
F | TYR157 |
F | MET160 |
F | SER197 |
F | ALA198 |
F | NAP400 |
site_id | CC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GLU F 1259 |
Chain | Residue |
F | LYS7 |
F | ASP88 |
F | GLY140 |
F | ASN182 |
F | ARG184 |
F | LEU234 |
F | HOH2153 |
site_id | CC2 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP G 400 |
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 | LYS164 |
G | ALA190 |
G | PRO192 |
G | ILE193 |
G | THR195 |
G | SER197 |
G | CH81258 |
G | HOH2018 |
G | HOH2019 |
G | HOH2020 |
G | HOH2022 |
G | HOH2068 |
G | HOH2148 |
site_id | CC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GLU G 1257 |
Chain | Residue |
B | LYS199 |
G | ARG103 |
G | GLY203 |
G | PHE204 |
G | ASN205 |
G | HOH2111 |
site_id | CC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CH8 G 1258 |
Chain | Residue |
G | TYR147 |
G | TYR157 |
G | SER197 |
G | ALA198 |
G | VAL201 |
G | NAP400 |
site_id | CC5 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAP H 400 |
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 | CH81257 |
H | HOH2005 |
H | HOH2006 |
H | HOH2007 |
H | HOH2008 |
H | HOH2081 |
site_id | CC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE CH8 H 1257 |
Chain | Residue |
H | TYR147 |
H | TYR157 |
H | MET160 |
H | SER197 |
H | ALA198 |
H | VAL201 |
H | NAP400 |