3PWT
Crystal structure of mutant E.coli topoisomerase IA
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 599 |
| Chain | Residue |
| A | ARG202 |
| A | ALA458 |
| A | ARG535 |
| A | ASN539 |
| A | HOH618 |
| A | HOH842 |
| A | HOH892 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 600 |
| Chain | Residue |
| A | HIS365 |
| A | HOH994 |
| A | ARG114 |
| A | ARG161 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 601 |
| Chain | Residue |
| A | GLN291 |
| A | SER481 |
| A | ARG516 |
| A | HOH622 |
| A | HOH649 |
Functional Information from PROSITE/UniProt
| site_id | PS00396 |
| Number of Residues | 15 |
| Details | TOPO_IA_1 Topoisomerase (Topo) IA-type active site signature. QrLYEagy.........ITYmRTD |
| Chain | Residue | Details |
| A | GLN309-ASP323 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|PROSITE-ProRule:PRU01383, ECO:0000269|PubMed:21482796, ECO:0000269|PubMed:8114910, ECO:0000269|PubMed:9497321 |
| Chain | Residue | Details |
| A | TYR319 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00952 |
| Chain | Residue | Details |
| A | GLU9 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | ASN111 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | SITE: Interaction with DNA |
| Chain | Residue | Details |
| A | HIS33 | |
| A | ARG168 | |
| A | ARG169 | |
| A | ASP172 | |
| A | TYR177 | |
| A | TRP184 | |
| A | ARG321 | |
| A | ARG507 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 366 |
| Chain | Residue | Details |
| A | GLU9 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, metal ligand, proton acceptor, proton donor, proton relay |
| A | ASN111 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, metal ligand, proton acceptor, proton donor, proton relay |
| A | ASP113 | metal ligand |
| A | GLU115 | metal ligand |
| A | TYR319 | activator, covalently attached, hydrogen bond acceptor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | ARG321 | electrostatic stabiliser |
| A | HIS365 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, proton acceptor, proton donor |
