4P8H
Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003885 | molecular_function | D-arabinono-1,4-lactone oxidase activity |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016899 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, oxygen as acceptor |
| A | 0035884 | biological_process | arabinan biosynthetic process |
| A | 0042597 | cellular_component | periplasmic space |
| A | 0045227 | biological_process | capsule polysaccharide biosynthetic process |
| A | 0046677 | biological_process | response to antibiotic |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0070592 | biological_process | cell wall polysaccharide biosynthetic process |
| A | 0071555 | biological_process | cell wall organization |
| A | 0071949 | molecular_function | FAD binding |
| B | 0003885 | molecular_function | D-arabinono-1,4-lactone oxidase activity |
| B | 0005886 | cellular_component | plasma membrane |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016899 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, oxygen as acceptor |
| B | 0035884 | biological_process | arabinan biosynthetic process |
| B | 0042597 | cellular_component | periplasmic space |
| B | 0045227 | biological_process | capsule polysaccharide biosynthetic process |
| B | 0046677 | biological_process | response to antibiotic |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0070592 | biological_process | cell wall polysaccharide biosynthetic process |
| B | 0071555 | biological_process | cell wall organization |
| B | 0071949 | molecular_function | FAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| 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 | ILE131 |
| A | HIS132 |
| A | ASN178 |
| A | GLY179 |
| A | GLY182 |
| A | ILE184 |
| A | TYR415 |
| A | ALA417 |
| A | ALA53 |
| A | ARG54 |
| A | GLY55 |
| A | LEU56 |
| A | GLY57 |
| A | ARG58 |
| A | SER59 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue O95 A 502 |
| Chain | Residue |
| A | GLY117 |
| A | HIS132 |
| A | TRP230 |
| A | TYR314 |
| A | GLN336 |
| A | VAL365 |
| A | LYS367 |
| A | ASN385 |
| A | LYS418 |
| A | FAD501 |
| site_id | AC3 |
| Number of Residues | 25 |
| 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 | GLY117 |
| B | VAL121 |
| B | THR122 |
| B | GLY125 |
| B | ALA128 |
| B | ILE131 |
| B | HIS132 |
| B | ASN178 |
| B | GLY179 |
| B | ILE184 |
| B | TYR415 |
| B | ALA417 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | binding site for residue O95 B 502 |
| Chain | Residue |
| B | GLY117 |
| B | HIS132 |
| B | GLY133 |
| B | LYS134 |
| B | TRP230 |
| B | GLN336 |
| B | VAL365 |
| B | LYS367 |
| B | ASN385 |
| B | LYS418 |
| B | FAD501 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 350 |
| Details | Domain: {"description":"FAD-binding PCMH-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00718","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22733761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23776209","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24500695","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25427196","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4FDP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NCR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22733761","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23776209","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24500695","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25427196","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4FDP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KW5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NCR","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
