7ONS
PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | binding site for residue VKT A 1101 |
| Chain | Residue |
| A | ASP766 |
| A | TYR896 |
| A | PHE897 |
| A | SER904 |
| A | TYR907 |
| A | HOH1230 |
| A | HOH1280 |
| A | ASN767 |
| A | LEU769 |
| A | ASP770 |
| A | HIS862 |
| A | GLY863 |
| A | ASN868 |
| A | ILE879 |
| A | ALA880 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 1102 |
| Chain | Residue |
| A | LYS903 |
| A | LEU984 |
| A | LEU985 |
| A | TYR986 |
| A | HOH1211 |
| A | HOH1216 |
| A | HOH1391 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 1103 |
| Chain | Residue |
| A | GLU840 |
| A | GLY843 |
| A | GLU844 |
| A | CYS845 |
| A | GLN846 |
| A | HOH1254 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 1104 |
| Chain | Residue |
| A | ARG858 |
| A | MET929 |
| A | LYS949 |
| A | HOH1304 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | binding site for residue VKT B 1101 |
| Chain | Residue |
| B | ASP766 |
| B | ASN767 |
| B | ASP770 |
| B | HIS862 |
| B | GLY863 |
| B | ASN868 |
| B | ARG878 |
| B | ILE879 |
| B | ALA880 |
| B | TYR896 |
| B | PHE897 |
| B | SER904 |
| B | TYR907 |
| B | HOH1227 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 1102 |
| Chain | Residue |
| B | LYS903 |
| B | LEU984 |
| B | LEU985 |
| B | TYR986 |
| B | HOH1292 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 1103 |
| Chain | Residue |
| B | ARG858 |
| B | MET929 |
| B | LYS949 |
| B | HOH1286 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851 |
| Chain | Residue | Details |
| A | GLU988 | |
| B | GLU988 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5 |
| Chain | Residue | Details |
| A | HIS862 | |
| A | GLY871 | |
| A | ARG878 | |
| A | SER904 | |
| B | HIS862 | |
| B | GLY871 | |
| B | ARG878 | |
| B | SER904 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER782 | |
| B | SER782 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER786 | |
| B | SER786 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| A | LYS748 | |
| B | LYS748 |
