6TBC
Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin B
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 | 0042802 | molecular_function | identical protein binding |
A | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
B | 0042802 | molecular_function | identical protein binding |
B | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
C | 0042802 | molecular_function | identical protein binding |
C | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
D | 0042802 | molecular_function | identical protein binding |
D | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
E | 0042802 | molecular_function | identical protein binding |
E | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
F | 0042802 | molecular_function | identical protein binding |
F | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
G | 0042802 | molecular_function | identical protein binding |
G | 0050661 | molecular_function | NADP 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 | 0030497 | biological_process | fatty acid elongation |
H | 0042802 | molecular_function | identical protein binding |
H | 0050661 | molecular_function | NADP binding |
H | 0141148 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADPH) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 26 |
Details | binding site for residue NDP A 301 |
Chain | Residue |
A | GLY13 |
A | ASP66 |
A | VAL67 |
A | GLN68 |
A | SER93 |
A | ILE94 |
A | ALA95 |
A | ILE120 |
A | THR145 |
A | THR146 |
A | TYR147 |
A | ILE14 |
A | LYS164 |
A | ALA190 |
A | GLY191 |
A | ILE193 |
A | THR195 |
A | SER197 |
A | N5H302 |
A | ALA15 |
A | SER19 |
A | ILE20 |
A | ARG40 |
A | LYS41 |
A | SER44 |
A | ILE65 |
site_id | AC2 |
Number of Residues | 12 |
Details | binding site for residue N5H A 302 |
Chain | Residue |
A | ALA95 |
A | PHE96 |
A | ALA97 |
A | MET99 |
A | TYR147 |
A | ASN156 |
A | TYR157 |
A | LEU196 |
A | SER197 |
A | VAL201 |
A | ILE207 |
A | NDP301 |
site_id | AC3 |
Number of Residues | 25 |
Details | binding site for residue NDP B 301 |
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 | THR145 |
B | THR146 |
B | TYR147 |
B | LYS164 |
B | ALA190 |
B | GLY191 |
B | PRO192 |
B | ILE193 |
B | THR195 |
B | SER197 |
B | N5H302 |
site_id | AC4 |
Number of Residues | 8 |
Details | binding site for residue N5H B 302 |
Chain | Residue |
B | ALA95 |
B | PHE96 |
B | ALA97 |
B | TYR147 |
B | GLN155 |
B | TYR157 |
B | SER197 |
B | NDP301 |
site_id | AC5 |
Number of Residues | 26 |
Details | binding site for residue NDP C 301 |
Chain | Residue |
C | GLY13 |
C | ILE14 |
C | ALA15 |
C | SER19 |
C | ILE20 |
C | ARG40 |
C | LYS41 |
C | ARG43 |
C | SER44 |
C | ILE65 |
C | ASP66 |
C | VAL67 |
C | SER93 |
C | ILE94 |
C | ALA95 |
C | THR145 |
C | THR146 |
C | TYR147 |
C | LYS164 |
C | ALA190 |
C | GLY191 |
C | PRO192 |
C | ILE193 |
C | THR195 |
C | SER197 |
C | N5H302 |
site_id | AC6 |
Number of Residues | 8 |
Details | binding site for residue N5H C 302 |
Chain | Residue |
C | ALA97 |
C | MET99 |
C | TYR147 |
C | TYR157 |
C | SER197 |
C | NDP301 |
C | ALA95 |
C | PHE96 |
site_id | AC7 |
Number of Residues | 25 |
Details | binding site for residue NDP D 301 |
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 | THR145 |
D | THR146 |
D | LYS164 |
D | ALA190 |
D | GLY191 |
D | PRO192 |
D | ILE193 |
D | THR195 |
D | LEU196 |
D | SER197 |
D | N5H302 |
site_id | AC8 |
Number of Residues | 11 |
Details | binding site for residue N5H D 302 |
Chain | Residue |
D | ALA95 |
D | PHE96 |
D | ALA97 |
D | MET99 |
D | TYR147 |
D | GLN155 |
D | TYR157 |
D | SER197 |
D | ALA198 |
D | VAL201 |
D | NDP301 |
site_id | AC9 |
Number of Residues | 25 |
Details | binding site for residue NDP E 301 |
Chain | Residue |
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 | THR145 |
E | THR146 |
E | LYS164 |
E | ALA190 |
E | GLY191 |
E | PRO192 |
E | ILE193 |
E | THR195 |
E | LEU196 |
E | SER197 |
E | N5H302 |
site_id | AD1 |
Number of Residues | 10 |
Details | binding site for residue N5H E 302 |
Chain | Residue |
E | ALA95 |
E | PHE96 |
E | ALA97 |
E | TYR147 |
E | GLN155 |
E | TYR157 |
E | SER197 |
E | VAL201 |
E | ILE207 |
E | NDP301 |
site_id | AD2 |
Number of Residues | 25 |
Details | binding site for residue NDP F 301 |
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 | LYS164 |
F | ALA190 |
F | GLY191 |
F | PRO192 |
F | ILE193 |
F | THR195 |
F | SER197 |
F | N5H302 |
site_id | AD3 |
Number of Residues | 9 |
Details | binding site for residue N5H F 302 |
Chain | Residue |
F | ALA95 |
F | PHE96 |
F | ALA97 |
F | MET99 |
F | GLN155 |
F | TYR157 |
F | SER197 |
F | ILE207 |
F | NDP301 |
site_id | AD4 |
Number of Residues | 26 |
Details | binding site for residue NDP G 301 |
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 | GLY191 |
G | PRO192 |
G | ILE193 |
G | THR195 |
G | SER197 |
G | N5H302 |
site_id | AD5 |
Number of Residues | 11 |
Details | binding site for residue N5H G 302 |
Chain | Residue |
G | ALA95 |
G | PHE96 |
G | ALA97 |
G | MET99 |
G | TYR147 |
G | GLN155 |
G | TYR157 |
G | SER197 |
G | VAL201 |
G | ILE207 |
G | NDP301 |
site_id | AD6 |
Number of Residues | 27 |
Details | binding site for residue NDP H 301 |
Chain | Residue |
H | GLY13 |
H | ILE14 |
H | ALA15 |
H | SER19 |
H | ILE20 |
H | ARG40 |
H | LYS41 |
H | ARG43 |
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 | N5H302 |
site_id | AD7 |
Number of Residues | 9 |
Details | binding site for residue N5H H 302 |
Chain | Residue |
H | ALA95 |
H | PHE96 |
H | ALA97 |
H | MET99 |
H | GLN155 |
H | TYR157 |
H | SER197 |
H | VAL201 |
H | NDP301 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 16 |
Details | ACT_SITE: Proton acceptor => ECO:0000250 |
Chain | Residue | Details |
A | TYR147 | |
E | TYR157 | |
F | TYR147 | |
F | TYR157 | |
G | TYR147 | |
G | TYR157 | |
H | TYR147 | |
H | TYR157 | |
A | TYR157 | |
B | TYR147 | |
B | TYR157 | |
C | TYR147 | |
C | TYR157 | |
D | TYR147 | |
D | TYR157 | |
E | TYR147 |
site_id | SWS_FT_FI2 |
Number of Residues | 56 |
Details | BINDING: BINDING => ECO:0000269|PubMed:19768684 |
Chain | Residue | Details |
A | GLY13 | |
B | ARG40 | |
B | ASP66 | |
B | ILE94 | |
B | LYS164 | |
B | ILE193 | |
C | GLY13 | |
C | SER19 | |
C | ARG40 | |
C | ASP66 | |
C | ILE94 | |
A | SER19 | |
C | LYS164 | |
C | ILE193 | |
D | GLY13 | |
D | SER19 | |
D | ARG40 | |
D | ASP66 | |
D | ILE94 | |
D | LYS164 | |
D | ILE193 | |
E | GLY13 | |
A | ARG40 | |
E | SER19 | |
E | ARG40 | |
E | ASP66 | |
E | ILE94 | |
E | LYS164 | |
E | ILE193 | |
F | GLY13 | |
F | SER19 | |
F | ARG40 | |
F | ASP66 | |
A | ASP66 | |
F | ILE94 | |
F | LYS164 | |
F | ILE193 | |
G | GLY13 | |
G | SER19 | |
G | ARG40 | |
G | ASP66 | |
G | ILE94 | |
G | LYS164 | |
G | ILE193 | |
A | ILE94 | |
H | GLY13 | |
H | SER19 | |
H | ARG40 | |
H | ASP66 | |
H | ILE94 | |
H | LYS164 | |
H | ILE193 | |
A | LYS164 | |
A | ILE193 | |
B | GLY13 | |
B | SER19 |
site_id | SWS_FT_FI3 |
Number of Residues | 8 |
Details | BINDING: BINDING => ECO:0000250 |
Chain | Residue | Details |
A | ALA97 | |
B | ALA97 | |
C | ALA97 | |
D | ALA97 | |
E | ALA97 | |
F | ALA97 | |
G | ALA97 | |
H | ALA97 |
site_id | SWS_FT_FI4 |
Number of Residues | 16 |
Details | SITE: Critical for cofactor specificity => ECO:0000250 |
Chain | Residue | Details |
A | ARG40 | |
E | LYS41 | |
F | ARG40 | |
F | LYS41 | |
G | ARG40 | |
G | LYS41 | |
H | ARG40 | |
H | LYS41 | |
A | LYS41 | |
B | ARG40 | |
B | LYS41 | |
C | ARG40 | |
C | LYS41 | |
D | ARG40 | |
D | LYS41 | |
E | ARG40 |