4ZZZ
Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 2012 |
| Chain | Residue |
| A | HOH3008 |
| B | LYS903 |
| B | LEU984 |
| B | LEU985 |
| B | TYR986 |
| B | GOL2013 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2015 |
| Chain | Residue |
| A | TYR986 |
| A | GOL2018 |
| A | HOH3075 |
| A | LYS903 |
| A | LEU984 |
| A | LEU985 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 2016 |
| Chain | Residue |
| A | ARG858 |
| A | MET929 |
| A | LYS949 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 2017 |
| Chain | Residue |
| A | ASP766 |
| A | ILE879 |
| A | ALA880 |
| A | TYR889 |
| A | LYS893 |
| A | GLY894 |
| A | TYR896 |
| A | HOH3047 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 2018 |
| Chain | Residue |
| A | MET890 |
| A | TYR896 |
| A | LYS903 |
| A | LEU984 |
| A | GLU988 |
| A | SO42015 |
| A | FSU2019 |
| A | HOH3045 |
| A | HOH3052 |
| A | HOH3075 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 2013 |
| Chain | Residue |
| A | HOH3008 |
| B | MET890 |
| B | TYR896 |
| B | LYS903 |
| B | TYR907 |
| B | LEU984 |
| B | GLU988 |
| B | SO42012 |
| B | FSU2015 |
| B | HOH3041 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 2014 |
| Chain | Residue |
| B | ARG858 |
| B | MET929 |
| B | LYS949 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FSU A 2019 |
| Chain | Residue |
| A | HIS862 |
| A | GLY863 |
| A | TYR896 |
| A | PHE897 |
| A | SER904 |
| A | TYR907 |
| A | GOL2018 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE FSU B 2015 |
| Chain | Residue |
| B | HIS862 |
| B | GLY863 |
| B | TYR896 |
| B | PHE897 |
| B | SER904 |
| B | TYR907 |
| B | GLU988 |
| B | GOL2013 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 117 |
| 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 | 226 |
| Details | Domain: {"description":"PARP catalytic","evidences":[{"source":"PROSITE-ProRule","id":"PRU00397","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| 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_FI4 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19690332","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"21406692","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| 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 |
