6VKK
Crystal Structure of human PARP-1 CAT domain bound to inhibitor rucaparib
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue RPB A 1101 |
| Chain | Residue |
| A | GLU763 |
| A | LYS903 |
| A | SER904 |
| A | TYR907 |
| A | GLU988 |
| A | HOH1209 |
| A | HOH1230 |
| A | ASP766 |
| A | HIS862 |
| A | GLY863 |
| A | GLY888 |
| A | TYR889 |
| A | TYR896 |
| A | PHE897 |
| A | ALA898 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 1102 |
| Chain | Residue |
| A | GLY843 |
| A | GLU844 |
| A | CYS845 |
| A | GLN846 |
| C | GLU842 |
| C | GLY843 |
| C | GLN846 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 1103 |
| Chain | Residue |
| A | LYS943 |
| B | LYS838 |
| B | LYS1000 |
| D | GLN846 |
| D | LYS849 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 1104 |
| Chain | Residue |
| A | LYS903 |
| A | LEU984 |
| A | LEU985 |
| A | TYR986 |
| A | HOH1201 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 1105 |
| Chain | Residue |
| A | ARG858 |
| A | MET929 |
| A | LYS949 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | binding site for residue RPB D 1101 |
| Chain | Residue |
| D | GLU763 |
| D | ASP766 |
| D | HIS862 |
| D | GLY863 |
| D | GLY888 |
| D | TYR889 |
| D | TYR896 |
| D | PHE897 |
| D | ALA898 |
| D | LYS903 |
| D | SER904 |
| D | TYR907 |
| D | GLU988 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 1102 |
| Chain | Residue |
| B | GLY843 |
| B | CYS845 |
| B | GLN846 |
| D | GLY843 |
| D | GLU844 |
| D | CYS845 |
| D | GLN846 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 D 1103 |
| Chain | Residue |
| D | LYS903 |
| D | LEU984 |
| D | LEU985 |
| D | TYR986 |
| site_id | AC9 |
| Number of Residues | 14 |
| Details | binding site for residue RPB C 1101 |
| Chain | Residue |
| C | GLN759 |
| C | GLU763 |
| C | HIS862 |
| C | GLY863 |
| C | GLY888 |
| C | TYR889 |
| C | TYR896 |
| C | PHE897 |
| C | ALA898 |
| C | LYS903 |
| C | SER904 |
| C | TYR907 |
| C | GLU988 |
| C | HOH1210 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 1102 |
| Chain | Residue |
| A | GLN846 |
| A | LYS849 |
| C | LYS838 |
| C | LYS1000 |
| D | LYS943 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 1103 |
| Chain | Residue |
| C | LYS903 |
| C | LEU984 |
| C | LEU985 |
| C | TYR986 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 1104 |
| Chain | Residue |
| C | ARG858 |
| C | MET929 |
| C | LYS949 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 1201 |
| Chain | Residue |
| B | GLY944 |
| B | HIS946 |
| C | GLY944 |
| C | HIS946 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue RPB B 1202 |
| Chain | Residue |
| B | SER904 |
| B | TYR907 |
| B | GLU988 |
| B | HOH1313 |
| B | GLN759 |
| B | GLU763 |
| B | HIS862 |
| B | GLY863 |
| B | THR887 |
| B | TYR889 |
| B | TYR896 |
| B | PHE897 |
| B | ALA898 |
| B | LYS903 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 1203 |
| Chain | Residue |
| B | LYS903 |
| B | LEU984 |
| B | LEU985 |
| B | TYR986 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 1204 |
| Chain | Residue |
| B | ARG858 |
| B | MET929 |
| B | LYS949 |
| B | HOH1307 |
| D | GLY978 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 234 |
| Details | Domain: {"description":"PARP alpha-helical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00398","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"description":"For poly [ADP-ribose] polymerase activity","evidences":[{"source":"PubMed","id":"32028527","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"7852410","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9315851","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"25218447","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
