4P8C
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 | Y22502 |
A | HOH643 |
A | HOH675 |
A | GLY55 |
A | LEU56 |
A | GLY57 |
A | ARG58 |
A | SER59 |
A | TYR60 |
site_id | AC2 |
Number of Residues | 15 |
Details | binding site for residue Y22 A 502 |
Chain | Residue |
A | TYR60 |
A | HIS132 |
A | GLY133 |
A | LYS134 |
A | TRP230 |
A | GLN334 |
A | LEU363 |
A | ASN364 |
A | VAL365 |
A | LYS367 |
A | ASN385 |
A | CYS387 |
A | LYS418 |
A | FAD501 |
A | 2J3504 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue IMD A 503 |
Chain | Residue |
A | SER82 |
A | ASP84 |
B | SER82 |
B | ASP84 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue 2J3 A 504 |
Chain | Residue |
A | SER228 |
A | ALA229 |
A | ALA244 |
A | Y22502 |
site_id | AC5 |
Number of Residues | 33 |
Details | binding site for residue FAD B 501 |
Chain | Residue |
B | TRP16 |
B | ILE52 |
B | ALA53 |
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 | Y22502 |
B | HOH643 |
B | HOH649 |
site_id | AC6 |
Number of Residues | 13 |
Details | binding site for residue Y22 B 502 |
Chain | Residue |
B | CYS387 |
B | LYS418 |
B | FAD501 |
B | TYR60 |
B | HIS132 |
B | GLY133 |
B | LYS134 |
B | TRP230 |
B | LEU363 |
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 |