5CPF
Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046677 | biological_process | response to antibiotic |
| A | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
| B | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046677 | biological_process | response to antibiotic |
| B | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
| C | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| C | 0006629 | biological_process | lipid metabolic process |
| C | 0006631 | biological_process | fatty acid metabolic process |
| C | 0006633 | biological_process | fatty acid biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0046677 | biological_process | response to antibiotic |
| C | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
| D | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
| D | 0006629 | biological_process | lipid metabolic process |
| D | 0006631 | biological_process | fatty acid metabolic process |
| D | 0006633 | biological_process | fatty acid biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046677 | biological_process | response to antibiotic |
| D | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | binding site for residue NAD A 300 |
| Chain | Residue |
| A | GLY14 |
| A | SER94 |
| A | ILE95 |
| A | GLY96 |
| A | ILE122 |
| A | MET147 |
| A | ASP148 |
| A | LYS165 |
| A | ALA191 |
| A | GLY192 |
| A | PRO193 |
| A | ILE15 |
| A | ILE194 |
| A | THR196 |
| A | ALA198 |
| A | 53K301 |
| A | ILE16 |
| A | SER20 |
| A | ILE21 |
| A | PHE41 |
| A | LEU63 |
| A | ASP64 |
| A | VAL65 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 53K A 301 |
| Chain | Residue |
| A | GLY96 |
| A | PHE97 |
| A | MET98 |
| A | MET103 |
| A | PRO156 |
| A | ALA157 |
| A | TYR158 |
| A | MET199 |
| A | NAD300 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | binding site for residue NAD B 300 |
| Chain | Residue |
| B | GLY14 |
| B | ILE15 |
| B | ILE16 |
| B | SER20 |
| B | ILE21 |
| B | PHE41 |
| B | LEU63 |
| B | ASP64 |
| B | VAL65 |
| B | SER94 |
| B | ILE95 |
| B | GLY96 |
| B | ILE122 |
| B | MET147 |
| B | ASP148 |
| B | PHE149 |
| B | MET161 |
| B | LYS165 |
| B | ALA191 |
| B | GLY192 |
| B | PRO193 |
| B | ILE194 |
| B | THR196 |
| B | ALA198 |
| B | 53K301 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | binding site for residue 53K B 301 |
| Chain | Residue |
| B | GLY96 |
| B | PHE97 |
| B | MET98 |
| B | PHE149 |
| B | MET155 |
| B | PRO156 |
| B | ALA157 |
| B | TYR158 |
| B | MET161 |
| B | PRO193 |
| B | ALA198 |
| B | MET199 |
| B | LEU218 |
| B | NAD300 |
| site_id | AC5 |
| Number of Residues | 23 |
| Details | binding site for residue NAD C 300 |
| Chain | Residue |
| C | GLY14 |
| C | ILE15 |
| C | ILE16 |
| C | SER20 |
| C | ILE21 |
| C | PHE41 |
| C | LEU63 |
| C | ASP64 |
| C | VAL65 |
| C | SER94 |
| C | ILE95 |
| C | GLY96 |
| C | ILE122 |
| C | MET147 |
| C | ASP148 |
| C | MET161 |
| C | LYS165 |
| C | ALA191 |
| C | GLY192 |
| C | PRO193 |
| C | ILE194 |
| C | THR196 |
| C | 53K301 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | binding site for residue 53K C 301 |
| Chain | Residue |
| C | PRO156 |
| C | ALA157 |
| C | TYR158 |
| C | MET161 |
| C | PRO193 |
| C | LEU218 |
| C | NAD300 |
| C | GLY96 |
| C | PHE97 |
| C | MET98 |
| C | MET103 |
| C | PHE149 |
| site_id | AC7 |
| Number of Residues | 10 |
| Details | binding site for residue 53K D 301 |
| Chain | Residue |
| D | GLY96 |
| D | PHE97 |
| D | MET98 |
| D | PRO156 |
| D | TYR158 |
| D | MET161 |
| D | ALA198 |
| D | MET199 |
| D | ILE202 |
| D | NAD302 |
| site_id | AC8 |
| Number of Residues | 22 |
| Details | binding site for residue NAD D 302 |
| Chain | Residue |
| D | GLY14 |
| D | ILE15 |
| D | ILE16 |
| D | SER20 |
| D | ILE21 |
| D | PHE41 |
| D | LEU63 |
| D | ASP64 |
| D | VAL65 |
| D | SER94 |
| D | ILE95 |
| D | GLY96 |
| D | ILE122 |
| D | MET147 |
| D | ASP148 |
| D | LYS165 |
| D | GLY192 |
| D | PRO193 |
| D | ILE194 |
| D | THR196 |
| D | ALA198 |
| D | 53K301 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 24 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P9WGR1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Site: {"description":"May act as an intermediate that passes the hydride ion from NADH to the substrate","evidences":[{"source":"UniProtKB","id":"P9WGR1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Site: {"description":"Transition state stabilizer","evidences":[{"source":"UniProtKB","id":"P9WGR1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P9WGR1","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
