1MW8
Crystal Structure of a Complex between H365R mutant of 67 kDA N-terminal fragment of E. coli DNA Topoisomerase I and 5'-ACTTCGGGATG-3'
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 X 2002 |
| Chain | Residue |
| X | LYS28 |
| X | SER29 |
| X | LYS251 |
| X | HOH1338 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 X 2004 |
| Chain | Residue |
| X | TRP560 |
| X | LYS561 |
| X | HOH1041 |
| X | HOH1138 |
| X | HOH1231 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 X 2005 |
| Chain | Residue |
| X | ARG515 |
| X | ARG516 |
| X | HOH1257 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 X 2007 |
| Chain | Residue |
| X | ARG202 |
| X | ALA458 |
| X | ARG535 |
| X | ASN539 |
| X | HOH1043 |
| X | HOH1252 |
| X | HOH1429 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 X 2008 |
| Chain | Residue |
| X | HIS469 |
| X | LYS472 |
| X | HOH1512 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE TMP X 600 |
| Chain | Residue |
| X | ASP113 |
| X | ARG114 |
| X | GLU115 |
| X | ARG161 |
| X | GLN165 |
| X | ARG168 |
| X | ARG365 |
| X | SER495 |
| X | ALA554 |
| X | HOH1092 |
| X | HOH1139 |
| X | HOH1271 |
| X | HOH1345 |
| X | HOH1373 |
| X | HOH1405 |
| X | HOH1433 |
| X | HOH1477 |
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 |
| X | 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 |
| X | TYR319 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00952 |
| Chain | Residue | Details |
| X | GLU9 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| X | ASP111 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | SITE: Interaction with DNA |
| Chain | Residue | Details |
| X | HIS33 | |
| X | ARG168 | |
| X | ARG169 | |
| X | ASP172 | |
| X | TYR177 | |
| X | TRP184 | |
| X | ARG321 | |
| X | ARG507 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1ecl |
| Chain | Residue | Details |
| X | ASP111 | |
| X | TYR319 | |
| X | GLU9 | |
| X | ARG365 |
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 366 |
| Chain | Residue | Details |
| X | GLU9 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, metal ligand, proton acceptor, proton donor, proton relay |
| X | ASP111 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, metal ligand, proton acceptor, proton donor, proton relay |
| X | ASP113 | metal ligand |
| X | GLU115 | metal ligand |
| X | TYR319 | activator, covalently attached, hydrogen bond acceptor, nucleofuge, nucleophile, proton acceptor, proton donor |
| X | ARG321 | electrostatic stabiliser |
| X | ARG365 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase acidity, proton acceptor, proton donor |
