4P8P
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003885 | molecular_function | D-arabinono-1,4-lactone oxidase activity |
| A | 0016020 | cellular_component | membrane |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0071949 | molecular_function | FAD binding |
| B | 0003885 | molecular_function | D-arabinono-1,4-lactone oxidase activity |
| B | 0016020 | cellular_component | membrane |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0071949 | molecular_function | FAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 33 |
| Details | binding site for residue FAD A 501 |
| Chain | Residue |
| A | TRP16 |
| A | ASN63 |
| A | ALA64 |
| A | MET74 |
| A | ALA94 |
| A | PRO116 |
| A | GLY117 |
| A | THR118 |
| A | VAL121 |
| A | THR122 |
| A | GLY124 |
| A | ILE52 |
| A | GLY125 |
| A | ALA128 |
| A | CYS129 |
| A | ILE131 |
| A | HIS132 |
| A | ASN178 |
| A | GLY179 |
| A | GLY182 |
| A | ILE184 |
| A | TYR415 |
| A | ALA53 |
| A | ALA417 |
| A | RG2502 |
| A | HOH647 |
| A | HOH651 |
| A | GLY55 |
| A | LEU56 |
| A | GLY57 |
| A | ARG58 |
| A | SER59 |
| A | TYR60 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue RG2 A 502 |
| Chain | Residue |
| A | TYR60 |
| A | HIS132 |
| A | GLY133 |
| A | LYS134 |
| A | TRP230 |
| A | LEU317 |
| A | GLN334 |
| A | ASN364 |
| A | VAL365 |
| A | LYS367 |
| A | CYS387 |
| A | LYS418 |
| A | FAD501 |
| A | 2J3503 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue 2J3 A 503 |
| Chain | Residue |
| A | SER228 |
| A | ALA229 |
| A | ALA244 |
| A | SER246 |
| A | PRO316 |
| A | RG2502 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue IMD A 504 |
| Chain | Residue |
| A | SER82 |
| A | ASP84 |
| B | SER82 |
| B | ASP84 |
| site_id | AC5 |
| Number of Residues | 34 |
| Details | binding site for residue FAD B 501 |
| Chain | Residue |
| B | TRP16 |
| B | ILE52 |
| B | ALA53 |
| B | ARG54 |
| B | GLY55 |
| B | LEU56 |
| B | GLY57 |
| B | ARG58 |
| B | SER59 |
| B | TYR60 |
| B | ASN63 |
| B | ALA64 |
| B | MET74 |
| B | ALA94 |
| B | PRO116 |
| B | GLY117 |
| B | THR118 |
| B | VAL121 |
| B | THR122 |
| B | GLY124 |
| B | GLY125 |
| B | ALA128 |
| B | CYS129 |
| B | ILE131 |
| B | HIS132 |
| B | ASN178 |
| B | GLY179 |
| B | GLY182 |
| B | ILE184 |
| B | TYR415 |
| B | ALA417 |
| B | RG2502 |
| B | HOH617 |
| B | HOH663 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue RG2 B 502 |
| Chain | Residue |
| B | CYS387 |
| B | LYS418 |
| B | FAD501 |
| B | TYR60 |
| B | HIS132 |
| B | GLY133 |
| B | LYS134 |
| B | ASN364 |
| B | VAL365 |
| B | LYS367 |
| B | ASN385 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22733761, ECO:0000269|PubMed:23776209, ECO:0000269|PubMed:24500695, ECO:0000269|PubMed:25427196, ECO:0007744|PDB:4FDP, ECO:0007744|PDB:4NCR |
| Chain | Residue | Details |
| A | ALA53 | |
| B | ALA53 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:22733761, ECO:0000269|PubMed:23776209, ECO:0000269|PubMed:24500695, ECO:0000269|PubMed:25427196, ECO:0007744|PDB:4FDP, ECO:0007744|PDB:4KW5, ECO:0007744|PDB:4NCR |
| Chain | Residue | Details |
| A | GLY117 | |
| B | TYR415 | |
| A | THR122 | |
| A | CYS129 | |
| A | ILE184 | |
| A | TYR415 | |
| B | GLY117 | |
| B | THR122 | |
| B | CYS129 | |
| B | ILE184 |
