4KPE
Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005694 | cellular_component | chromosome |
| A | 0006259 | biological_process | DNA metabolic process |
| A | 0006265 | biological_process | DNA topological change |
| B | 0003677 | molecular_function | DNA binding |
| B | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005694 | cellular_component | chromosome |
| B | 0006259 | biological_process | DNA metabolic process |
| B | 0006265 | biological_process | DNA topological change |
| C | 0003677 | molecular_function | DNA binding |
| C | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0006265 | biological_process | DNA topological change |
| D | 0003677 | molecular_function | DNA binding |
| D | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0006265 | biological_process | DNA topological change |
Functional Information from PDB Data
| site_id | 1 |
| Number of Residues | |
| Details |
| Chain | Residue |
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 501 |
| Chain | Residue |
| A | PHE316 |
| A | LYS317 |
| A | THR319 |
| A | GLN322 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG A 502 |
| Chain | Residue |
| F | AF5101 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG B 501 |
| Chain | Residue |
| B | PHE316 |
| B | LYS317 |
| B | THR319 |
| B | GLN322 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE MG B 502 |
| Chain | Residue |
| H | AF5101 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG C 701 |
| Chain | Residue |
| C | ASP506 |
| C | ASP508 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG D 701 |
| Chain | Residue |
| D | ASP506 |
| D | ASP508 |
| G | DT15 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE AF5 F 101 |
| Chain | Residue |
| A | SER79 |
| A | MG502 |
| B | ARG117 |
| C | ARG456 |
| C | GLU475 |
| E | DT15 |
| F | DC4 |
| F | DA5 |
| H | DG1 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE AF5 H 101 |
| Chain | Residue |
| A | ARG117 |
| B | SER79 |
| B | MG502 |
| D | ARG456 |
| D | GLU475 |
| F | DA1 |
| G | DT15 |
| H | DT4 |
| H | DA5 |
Functional Information from PROSITE/UniProt
| site_id | PS00177 |
| Number of Residues | 9 |
| Details | TOPOISOMERASE_II DNA topoisomerase II signature. LVEGDSAGG |
| Chain | Residue | Details |
| C | LEU431-GLY439 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"O-(5'-phospho-DNA)-tyrosine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_00937","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20596531","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | Site: {"description":"Interaction with DNA"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Site: {"description":"Transition state stabilizer"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 228 |
| Details | Domain: {"description":"Toprim","evidences":[{"source":"HAMAP-Rule","id":"MF_00939","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00939","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20596531","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 8 |
| Details | Site: {"description":"Interaction with DNA","evidences":[{"source":"HAMAP-Rule","id":"MF_00939","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
