6U3T
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001897 | biological_process | symbiont-mediated cytolysis of host cell |
| A | 0005515 | molecular_function | protein binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0031640 | biological_process | killing of cells of another organism |
| A | 0035821 | biological_process | modulation of process of another organism |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0051715 | biological_process | cytolysis in another organism |
| A | 0090729 | molecular_function | toxin activity |
| B | 0001897 | biological_process | symbiont-mediated cytolysis of host cell |
| B | 0005515 | molecular_function | protein binding |
| B | 0005576 | cellular_component | extracellular region |
| B | 0031640 | biological_process | killing of cells of another organism |
| B | 0035821 | biological_process | modulation of process of another organism |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0051715 | biological_process | cytolysis in another organism |
| B | 0090729 | molecular_function | toxin activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | binding site for residue PQJ A 401 |
| Chain | Residue |
| A | ASN176 |
| A | GLN177 |
| A | TRP179 |
| A | TYR182 |
| A | GLN194 |
| A | MET197 |
| A | LYS198 |
| A | THR199 |
| A | ARG200 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue PQJ A 402 |
| Chain | Residue |
| A | ASN74 |
| A | SER203 |
| A | MET204 |
| A | TRP260 |
| A | TRP265 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 403 |
| Chain | Residue |
| A | TYR182 |
| A | ASN188 |
| A | GLN194 |
| A | ARG200 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 404 |
| Chain | Residue |
| A | THR109 |
| A | LYS110 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue PQJ B 401 |
| Chain | Residue |
| B | ASN176 |
| B | TRP179 |
| B | GLN194 |
| B | MET197 |
| B | THR199 |
| B | ARG200 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue PQJ B 402 |
| Chain | Residue |
| B | ALA73 |
| B | ASN74 |
| B | SER203 |
| B | TRP260 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 B 403 |
| Chain | Residue |
| B | TRP179 |
| B | TYR182 |
| B | ASN188 |
| B | GLN194 |
| B | ARG200 |
| B | HOH513 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 404 |
| Chain | Residue |
| A | TYR112 |
| A | SER114 |
| B | LYS147 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 405 |
| Chain | Residue |
| A | LYS147 |
| B | PRO103 |
| B | ARG104 |
| B | ASN105 |
| B | TYR112 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 406 |
| Chain | Residue |
| B | GLN89 |
| B | GLN89 |
| B | LYS164 |
| B | LYS164 |
Functional Information from PROSITE/UniProt
| site_id | PS00274 |
| Number of Residues | 10 |
| Details | AEROLYSIN Aerolysin type toxins signature. TstNWkgTNT |
| Chain | Residue | Details |
| A | THR261-THR270 |
