5IFL
Crystal structure of B. pseudomallei FabI in complex with NAD and triclosan
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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| I | 0000166 | molecular_function | nucleotide binding |
| I | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| I | 0006633 | biological_process | fatty acid biosynthetic process |
| I | 0016491 | molecular_function | oxidoreductase activity |
| J | 0000166 | molecular_function | nucleotide binding |
| J | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| J | 0006633 | biological_process | fatty acid biosynthetic process |
| J | 0016491 | molecular_function | oxidoreductase activity |
| K | 0000166 | molecular_function | nucleotide binding |
| K | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| K | 0006633 | biological_process | fatty acid biosynthetic process |
| K | 0016491 | molecular_function | oxidoreductase activity |
| L | 0000166 | molecular_function | nucleotide binding |
| L | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| L | 0006633 | biological_process | fatty acid biosynthetic process |
| L | 0016491 | molecular_function | oxidoreductase activity |
| M | 0000166 | molecular_function | nucleotide binding |
| M | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| M | 0006633 | biological_process | fatty acid biosynthetic process |
| M | 0016491 | molecular_function | oxidoreductase activity |
| N | 0000166 | molecular_function | nucleotide binding |
| N | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| N | 0006633 | biological_process | fatty acid biosynthetic process |
| N | 0016491 | molecular_function | oxidoreductase activity |
| O | 0000166 | molecular_function | nucleotide binding |
| O | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| O | 0006633 | biological_process | fatty acid biosynthetic process |
| O | 0016491 | molecular_function | oxidoreductase activity |
| P | 0000166 | molecular_function | nucleotide binding |
| P | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| P | 0006633 | biological_process | fatty acid biosynthetic process |
| P | 0016491 | molecular_function | oxidoreductase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | binding site for residue TCL B 301 |
| Chain | Residue |
| B | ALA95 |
| B | ILE100 |
| B | TYR146 |
| B | TYR156 |
| B | ALA196 |
| B | ILE200 |
| B | PHE203 |
| B | NAD302 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | binding site for residue NAD B 302 |
| Chain | Residue |
| B | LEU15 |
| B | SER19 |
| B | ILE20 |
| B | VAL40 |
| B | CYS63 |
| B | ASP64 |
| B | VAL65 |
| B | SER91 |
| B | ILE92 |
| B | GLY93 |
| B | ILE119 |
| B | LEU144 |
| B | SER145 |
| B | LYS163 |
| B | ALA189 |
| B | GLY190 |
| B | PRO191 |
| B | ILE192 |
| B | THR194 |
| B | ALA196 |
| B | TCL301 |
| B | HOH418 |
| B | HOH424 |
| B | HOH430 |
| B | HOH436 |
| B | GLY13 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue TCL A 301 |
| Chain | Residue |
| A | GLY93 |
| A | ALA95 |
| A | ILE100 |
| A | TYR146 |
| A | TYR156 |
| A | ALA196 |
| A | ALA197 |
| A | ILE200 |
| A | PHE203 |
| A | NAD302 |
| site_id | AC4 |
| Number of Residues | 25 |
| Details | binding site for residue NAD A 302 |
| Chain | Residue |
| A | GLY13 |
| A | LEU15 |
| A | SER19 |
| A | ILE20 |
| A | VAL40 |
| A | ASP64 |
| A | VAL65 |
| A | SER91 |
| A | ILE92 |
| A | GLY93 |
| A | PHE94 |
| A | ILE119 |
| A | LEU144 |
| A | SER145 |
| A | LYS163 |
| A | ALA189 |
| A | GLY190 |
| A | PRO191 |
| A | ILE192 |
| A | THR194 |
| A | LEU195 |
| A | ALA196 |
| A | TCL301 |
| A | HOH420 |
| A | HOH426 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue TCL C 301 |
| Chain | Residue |
| C | GLY93 |
| C | ALA95 |
| C | ILE100 |
| C | TYR146 |
| C | TYR156 |
| C | ALA196 |
| C | ILE200 |
| C | NAD302 |
| site_id | AC6 |
| Number of Residues | 23 |
| Details | binding site for residue NAD C 302 |
| Chain | Residue |
| C | HOH403 |
| C | GLY13 |
| C | LEU15 |
| C | SER19 |
| C | ILE20 |
| C | VAL40 |
| C | CYS63 |
| C | ASP64 |
| C | VAL65 |
| C | SER91 |
| C | ILE92 |
| C | LEU144 |
| C | SER145 |
| C | TYR146 |
| C | LYS163 |
| C | ALA189 |
| C | GLY190 |
| C | PRO191 |
| C | ILE192 |
| C | THR194 |
| C | LEU195 |
| C | ALA196 |
| C | TCL301 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue TCL D 301 |
| Chain | Residue |
| D | GLY93 |
| D | ALA95 |
| D | ILE100 |
| D | TYR146 |
| D | TYR156 |
| D | ALA196 |
| D | ILE200 |
| D | PHE203 |
| D | NAD302 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | binding site for residue NAD D 302 |
| Chain | Residue |
| D | GLY13 |
| D | LEU15 |
| D | SER19 |
| D | ILE20 |
| D | VAL40 |
| D | ASP64 |
| D | VAL65 |
| D | SER91 |
| D | ILE92 |
| D | GLY93 |
| D | LEU144 |
| D | SER145 |
| D | LYS163 |
| D | ALA189 |
| D | GLY190 |
| D | PRO191 |
| D | ILE192 |
| D | THR194 |
| D | ALA196 |
| D | TCL301 |
| D | HOH407 |
| D | HOH425 |
| D | HOH430 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue TCL E 301 |
| Chain | Residue |
| E | GLY93 |
| E | ALA95 |
| E | ILE100 |
| E | TYR146 |
| E | TYR156 |
| E | ALA196 |
| E | ILE200 |
| E | NAD302 |
| site_id | AD1 |
| Number of Residues | 26 |
| Details | binding site for residue NAD E 302 |
| Chain | Residue |
| E | GLY13 |
| E | LEU15 |
| E | SER19 |
| E | ILE20 |
| E | VAL40 |
| E | CYS63 |
| E | ASP64 |
| E | VAL65 |
| E | SER91 |
| E | ILE92 |
| E | GLY93 |
| E | PHE94 |
| E | ILE119 |
| E | LEU144 |
| E | SER145 |
| E | LYS163 |
| E | ALA189 |
| E | GLY190 |
| E | PRO191 |
| E | ILE192 |
| E | THR194 |
| E | LEU195 |
| E | ALA196 |
| E | TCL301 |
| E | HOH401 |
| E | HOH431 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue TCL F 301 |
| Chain | Residue |
| F | GLY93 |
| F | ALA95 |
| F | ILE100 |
| F | TYR146 |
| F | TYR156 |
| F | ALA196 |
| F | ILE200 |
| F | NAD302 |
| site_id | AD3 |
| Number of Residues | 25 |
| Details | binding site for residue NAD F 302 |
| Chain | Residue |
| F | GLY13 |
| F | LEU15 |
| F | SER19 |
| F | ILE20 |
| F | VAL40 |
| F | CYS63 |
| F | ASP64 |
| F | VAL65 |
| F | SER91 |
| F | ILE92 |
| F | GLY93 |
| F | LEU144 |
| F | SER145 |
| F | LYS163 |
| F | ALA189 |
| F | GLY190 |
| F | PRO191 |
| F | ILE192 |
| F | THR194 |
| F | LEU195 |
| F | ALA196 |
| F | TCL301 |
| F | HOH411 |
| F | HOH412 |
| F | HOH420 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue TCL G 301 |
| Chain | Residue |
| G | GLY93 |
| G | ALA95 |
| G | ILE100 |
| G | TYR146 |
| G | TYR156 |
| G | ALA196 |
| G | ILE200 |
| G | PHE203 |
| G | NAD302 |
| site_id | AD5 |
| Number of Residues | 23 |
| Details | binding site for residue NAD G 302 |
| Chain | Residue |
| G | GLY13 |
| G | LEU15 |
| G | SER19 |
| G | ILE20 |
| G | VAL40 |
| G | CYS63 |
| G | ASP64 |
| G | VAL65 |
| G | SER91 |
| G | ILE92 |
| G | GLY93 |
| G | ILE119 |
| G | LEU144 |
| G | SER145 |
| G | LYS163 |
| G | ALA189 |
| G | GLY190 |
| G | PRO191 |
| G | ILE192 |
| G | THR194 |
| G | ALA196 |
| G | TCL301 |
| G | HOH413 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue TCL H 301 |
| Chain | Residue |
| H | GLY93 |
| H | ALA95 |
| H | TYR146 |
| H | TYR156 |
| H | ALA196 |
| H | ILE200 |
| H | PHE203 |
| H | NAD302 |
| site_id | AD7 |
| Number of Residues | 22 |
| Details | binding site for residue NAD H 302 |
| Chain | Residue |
| H | GLY13 |
| H | LEU15 |
| H | SER19 |
| H | ILE20 |
| H | VAL40 |
| H | CYS63 |
| H | ASP64 |
| H | VAL65 |
| H | SER91 |
| H | ILE92 |
| H | ILE119 |
| H | LEU144 |
| H | SER145 |
| H | TYR146 |
| H | LYS163 |
| H | ALA189 |
| H | GLY190 |
| H | PRO191 |
| H | ILE192 |
| H | THR194 |
| H | ALA196 |
| H | TCL301 |
| site_id | AD8 |
| Number of Residues | 9 |
| Details | binding site for residue TCL I 301 |
| Chain | Residue |
| I | GLY93 |
| I | ALA95 |
| I | ILE100 |
| I | TYR146 |
| I | TYR156 |
| I | ALA196 |
| I | ILE200 |
| I | PHE203 |
| I | NAD302 |
| site_id | AD9 |
| Number of Residues | 24 |
| Details | binding site for residue NAD I 302 |
| Chain | Residue |
| I | GLY13 |
| I | LEU15 |
| I | SER19 |
| I | ILE20 |
| I | VAL40 |
| I | CYS63 |
| I | ASP64 |
| I | VAL65 |
| I | SER91 |
| I | ILE92 |
| I | GLY93 |
| I | PHE94 |
| I | ILE119 |
| I | LEU144 |
| I | SER145 |
| I | LYS163 |
| I | ALA189 |
| I | GLY190 |
| I | PRO191 |
| I | ILE192 |
| I | THR194 |
| I | ALA196 |
| I | TCL301 |
| I | HOH406 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for residue TCL J 301 |
| Chain | Residue |
| J | GLY93 |
| J | ALA95 |
| J | ILE100 |
| J | TYR146 |
| J | TYR156 |
| J | ALA196 |
| J | ILE200 |
| J | PHE203 |
| J | NAD302 |
| site_id | AE2 |
| Number of Residues | 25 |
| Details | binding site for residue NAD J 302 |
| Chain | Residue |
| J | GLY13 |
| J | LEU14 |
| J | LEU15 |
| J | SER19 |
| J | ILE20 |
| J | VAL40 |
| J | CYS63 |
| J | ASP64 |
| J | VAL65 |
| J | SER91 |
| J | ILE92 |
| J | GLY93 |
| J | ILE119 |
| J | LEU144 |
| J | SER145 |
| J | LYS163 |
| J | ALA189 |
| J | GLY190 |
| J | PRO191 |
| J | ILE192 |
| J | THR194 |
| J | ALA196 |
| J | TCL301 |
| J | HOH414 |
| J | HOH418 |
| site_id | AE3 |
| Number of Residues | 9 |
| Details | binding site for residue TCL K 301 |
| Chain | Residue |
| K | GLY93 |
| K | ALA95 |
| K | ILE100 |
| K | TYR146 |
| K | TYR156 |
| K | ALA196 |
| K | ILE200 |
| K | PHE203 |
| K | NAD302 |
| site_id | AE4 |
| Number of Residues | 26 |
| Details | binding site for residue NAD K 302 |
| Chain | Residue |
| K | GLY13 |
| K | LEU15 |
| K | SER19 |
| K | ILE20 |
| K | VAL40 |
| K | CYS63 |
| K | ASP64 |
| K | VAL65 |
| K | SER91 |
| K | ILE92 |
| K | GLY93 |
| K | ILE119 |
| K | LEU144 |
| K | SER145 |
| K | LYS163 |
| K | ALA189 |
| K | GLY190 |
| K | PRO191 |
| K | ILE192 |
| K | THR194 |
| K | LEU195 |
| K | ALA196 |
| K | TCL301 |
| K | HOH426 |
| K | HOH428 |
| K | HOH440 |
| site_id | AE5 |
| Number of Residues | 10 |
| Details | binding site for residue TCL L 301 |
| Chain | Residue |
| L | GLY93 |
| L | ALA95 |
| L | ILE100 |
| L | TYR146 |
| L | TYR156 |
| L | ALA196 |
| L | ALA197 |
| L | ILE200 |
| L | PHE203 |
| L | NAD302 |
| site_id | AE6 |
| Number of Residues | 21 |
| Details | binding site for residue NAD L 302 |
| Chain | Residue |
| L | GLY13 |
| L | LEU15 |
| L | SER19 |
| L | ILE20 |
| L | VAL40 |
| L | CYS63 |
| L | ASP64 |
| L | VAL65 |
| L | SER91 |
| L | ILE92 |
| L | GLY93 |
| L | LEU144 |
| L | SER145 |
| L | LYS163 |
| L | ALA189 |
| L | GLY190 |
| L | PRO191 |
| L | ILE192 |
| L | THR194 |
| L | ALA196 |
| L | TCL301 |
| site_id | AE7 |
| Number of Residues | 8 |
| Details | binding site for residue TCL M 301 |
| Chain | Residue |
| M | GLY93 |
| M | ALA95 |
| M | ILE100 |
| M | TYR146 |
| M | TYR156 |
| M | ALA196 |
| M | ILE200 |
| M | NAD302 |
| site_id | AE8 |
| Number of Residues | 22 |
| Details | binding site for residue NAD M 302 |
| Chain | Residue |
| M | GLY13 |
| M | LEU15 |
| M | SER19 |
| M | ILE20 |
| M | VAL40 |
| M | ASP64 |
| M | VAL65 |
| M | SER91 |
| M | ILE92 |
| M | GLY93 |
| M | LEU144 |
| M | SER145 |
| M | LYS163 |
| M | ALA189 |
| M | GLY190 |
| M | PRO191 |
| M | ILE192 |
| M | THR194 |
| M | LEU195 |
| M | ALA196 |
| M | TCL301 |
| M | HOH404 |
| site_id | AE9 |
| Number of Residues | 9 |
| Details | binding site for residue TCL N 301 |
| Chain | Residue |
| N | GLY93 |
| N | ALA95 |
| N | ILE100 |
| N | TYR146 |
| N | TYR156 |
| N | ALA196 |
| N | ILE200 |
| N | PHE203 |
| N | NAD302 |
| site_id | AF1 |
| Number of Residues | 24 |
| Details | binding site for residue NAD N 302 |
| Chain | Residue |
| N | GLY13 |
| N | LEU15 |
| N | SER19 |
| N | ILE20 |
| N | VAL40 |
| N | CYS63 |
| N | ASP64 |
| N | VAL65 |
| N | SER91 |
| N | ILE92 |
| N | GLY93 |
| N | LEU144 |
| N | SER145 |
| N | LYS163 |
| N | ALA189 |
| N | GLY190 |
| N | PRO191 |
| N | ILE192 |
| N | THR194 |
| N | LEU195 |
| N | ALA196 |
| N | TCL301 |
| N | HOH411 |
| N | HOH413 |
| site_id | AF2 |
| Number of Residues | 9 |
| Details | binding site for residue TCL O 301 |
| Chain | Residue |
| O | GLY93 |
| O | ALA95 |
| O | ILE100 |
| O | TYR146 |
| O | TYR156 |
| O | ALA196 |
| O | ILE200 |
| O | PHE203 |
| O | NAD302 |
| site_id | AF3 |
| Number of Residues | 22 |
| Details | binding site for residue NAD O 302 |
| Chain | Residue |
| O | GLY13 |
| O | LEU15 |
| O | SER19 |
| O | ILE20 |
| O | VAL40 |
| O | ASP64 |
| O | VAL65 |
| O | SER91 |
| O | ILE92 |
| O | GLY93 |
| O | LEU144 |
| O | SER145 |
| O | TYR146 |
| O | LYS163 |
| O | ALA189 |
| O | GLY190 |
| O | PRO191 |
| O | ILE192 |
| O | THR194 |
| O | LEU195 |
| O | ALA196 |
| O | TCL301 |
| site_id | AF4 |
| Number of Residues | 9 |
| Details | binding site for residue TCL P 301 |
| Chain | Residue |
| P | GLY93 |
| P | PHE94 |
| P | ALA95 |
| P | ILE100 |
| P | TYR146 |
| P | TYR156 |
| P | ALA196 |
| P | ILE200 |
| P | NAD302 |
| site_id | AF5 |
| Number of Residues | 21 |
| Details | binding site for residue NAD P 302 |
| Chain | Residue |
| P | GLY13 |
| P | LEU15 |
| P | SER19 |
| P | ILE20 |
| P | VAL40 |
| P | VAL65 |
| P | SER91 |
| P | ILE92 |
| P | GLY93 |
| P | ILE119 |
| P | LEU144 |
| P | SER145 |
| P | LYS163 |
| P | ALA189 |
| P | GLY190 |
| P | PRO191 |
| P | ILE192 |
| P | THR194 |
| P | ALA196 |
| P | TCL301 |
| P | HOH401 |
