6DHU
Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | binding site for residue GHM A 701 |
| Chain | Residue |
| A | TYR204 |
| A | ASN516 |
| A | HOH849 |
| A | HIS263 |
| A | LYS265 |
| A | ASN283 |
| A | SER399 |
| A | SER400 |
| A | PRO461 |
| A | HIS493 |
| A | LYS495 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 702 |
| Chain | Residue |
| A | ILE355 |
| A | GLY356 |
| A | SER357 |
| A | THR513 |
| A | TRP522 |
| A | GLY540 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 703 |
| Chain | Residue |
| A | SER198 |
| A | GLU337 |
| A | TRP338 |
| A | HOH905 |
| A | HOH920 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 704 |
| Chain | Residue |
| A | THR484 |
| A | LYS556 |
| A | GLN557 |
| A | TYR574 |
| A | ASP575 |
| A | LEU576 |
| A | HOH833 |
| A | HOH928 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 705 |
| Chain | Residue |
| A | ILE305 |
| A | LYS311 |
| A | SER312 |
| A | LYS320 |
| A | HIS343 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue GHM B 701 |
| Chain | Residue |
| B | TYR204 |
| B | HIS263 |
| B | LYS265 |
| B | ASN283 |
| B | SER399 |
| B | SER400 |
| B | PRO461 |
| B | HIS493 |
| B | LYS495 |
| B | ASN516 |
| B | HOH853 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 702 |
| Chain | Residue |
| B | ILE355 |
| B | GLY356 |
| B | SER357 |
| B | THR513 |
| B | ALA515 |
| B | TRP522 |
| B | GLY540 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 703 |
| Chain | Residue |
| B | ASP322 |
| B | ASN369 |
| B | HOH865 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 704 |
| Chain | Residue |
| B | THR484 |
| B | LYS556 |
| B | GLN557 |
| B | TYR574 |
| B | LEU576 |
| B | HOH832 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 705 |
| Chain | Residue |
| B | LYS311 |
| B | SER312 |
| B | LYS320 |
| B | HIS343 |
| B | HOH1013 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 706 |
| Chain | Residue |
| B | ASN471 |
| B | HIS474 |
| B | ARG586 |
| B | ILE589 |
| B | HOH1032 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 707 |
| Chain | Residue |
| B | GLU468 |
| B | LYS469 |
| B | GLN470 |
| B | ASN471 |
| B | TRP472 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Region: {"description":"Interaction with DNA","evidences":[{"source":"PubMed","id":"12470949","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"12470949","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15111055","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"12470949","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15111055","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12470949","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Site: {"description":"Interaction with DNA","evidences":[{"source":"PubMed","id":"12470949","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
