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7ONR

PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9)

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues12
Detailsbinding site for residue VKW A 1101
ChainResidue
AASP766
ASER904
ATYR907
AHOH1206
AASP770
AHIS862
AGLY863
AARG878
AILE879
AALA880
ATYR896
APHE897

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 1102
ChainResidue
ALYS903
ALEU985
ATYR986
AHOH1203
AHOH1251
AHOH1352

site_idAC3
Number of Residues7
Detailsbinding site for residue SO4 A 1103
ChainResidue
ALYS703
AARG704
ALYS953
AHOH1229
AHOH1273
AHOH1305
BGLN718

site_idAC4
Number of Residues12
Detailsbinding site for residue VKW B 1101
ChainResidue
BASP766
BASP770
BHIS862
BGLY863
BARG878
BILE879
BALA880
BTYR896
BPHE897
BSER904
BTYR907
BHOH1269

site_idAC5
Number of Residues6
Detailsbinding site for residue SO4 B 1102
ChainResidue
AHOH1307
BLYS903
BLEU984
BLEU985
BTYR986
BHOH1210

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues234
DetailsDomain: {"description":"PARP alpha-helical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00398","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive 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"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues10
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsModified 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"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues4
DetailsCross-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"}]}
ChainResidueDetails

239492

PDB entries from 2025-07-30

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