8QQI
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
Functional Information from PROSITE/UniProt
| site_id | PS00177 |
| Number of Residues | 9 |
| Details | TOPOISOMERASE_II DNA topoisomerase II signature. LVEGDSAGG |
| Chain | Residue | Details |
| B | LEU422-GLY430 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|HAMAP-Rule:MF_01897, ECO:0000269|PubMed:3031051 |
| Chain | Residue | Details |
| A | TYR122 | |
| C | TYR122 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25202966, ECO:0000269|PubMed:25849408, ECO:0000305|PubMed:10734094 |
| Chain | Residue | Details |
| B | TYR5 | |
| D | TYR5 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10734094, ECO:0000269|PubMed:25202966, ECO:0000269|PubMed:25849408 |
| Chain | Residue | Details |
| B | ASN46 | |
| D | LEU115 | |
| B | ASP73 | |
| B | GLY102 | |
| B | TYR109 | |
| B | LEU115 | |
| D | ASN46 | |
| D | ASP73 | |
| D | GLY102 | |
| D | TYR109 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25849408 |
| Chain | Residue | Details |
| B | ILE94 | |
| D | ALA100 | |
| D | LYS103 | |
| D | ASP105 | |
| D | GLY117 | |
| D | SER121 | |
| B | VAL97 | |
| B | ALA100 | |
| B | LYS103 | |
| B | ASP105 | |
| B | GLY117 | |
| B | SER121 | |
| D | ILE94 | |
| D | VAL97 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10734094, ECO:0000269|PubMed:25849408 |
| Chain | Residue | Details |
| B | GLN335 | |
| D | GLN335 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01898, ECO:0000305|PubMed:12051843, ECO:0000305|PubMed:18642932 |
| Chain | Residue | Details |
| B | GLU424 | |
| B | ASP498 | |
| B | ASP500 | |
| D | GLU424 | |
| D | ASP498 | |
| D | ASP500 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000305|PubMed:9657678 |
| Chain | Residue | Details |
| B | LYS337 | |
| D | LYS337 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | SITE: Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898 |
| Chain | Residue | Details |
| B | LYS449 | |
| B | ASN452 | |
| D | LYS449 | |
| D | ASN452 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 745 |
| Chain | Residue | Details |
| A | ARG32 | electrostatic stabiliser |
| A | HIS78 | proton acceptor |
| A | TYR122 | metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 745 |
| Chain | Residue | Details |
| C | ARG32 | electrostatic stabiliser |
| C | HIS78 | proton acceptor |
| C | TYR122 | metal ligand, nucleofuge, nucleophile, proton acceptor, proton donor |
