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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

4OQB

Structure of Human PARP-1 bound to a DNA double strand break in complex with (2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide

Functional Information from GO Data
ChainGOidnamespacecontents
A0003677molecular_functionDNA binding
A0008270molecular_functionzinc ion binding
C0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
D0003677molecular_functionDNA binding
D0008270molecular_functionzinc ion binding
F0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 401
ChainResidue
ACYS21
ACYS24
AHIS53
ACYS56
site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 402
ChainResidue
ACYS295
ACYS298
ACYS311
ACYS321
site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE 2UT C 1101
ChainResidue
CHIS862
CGLY863
CARG878
CTYR889
CALA898
CSER904
CTYR907
CGLU988
CASP766
site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 401
ChainResidue
DCYS21
DCYS24
DHIS53
DCYS56
site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 402
ChainResidue
DCYS295
DCYS298
DCYS311
DCYS321
Functional Information from PROSITE/UniProt
site_idPS00347
Number of Residues36
DetailsZF_PARP_1 Zinc finger poly(ADP-ribose) polymerase (PARP)-type signature. CKkCsesIpKdslRmaimvqspmfdgkvph..WYHfsC
ChainResidueDetails
ACYS21-CYS56
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues268
DetailsDomain: {"description":"PADR1 zinc-binding","evidences":[{"source":"PROSITE-ProRule","id":"PRU01351","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues84
DetailsRegion: {"description":"Zinc ribbon","evidences":[{"source":"PROSITE-ProRule","id":"PRU01351","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00264","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21233213","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22582261","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22683995","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3OD8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ODA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4AV1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DQY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OPX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OQA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OQB","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01351","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18055453","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22582261","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2RIQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DQY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OPX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OQA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OQB","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI5
Number of Residues2
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI6
Number of Residues6
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI7
Number of Residues4
DetailsCross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI8
Number of Residues234
DetailsDomain: {"description":"PARP alpha-helical","evidences":[{"source":"PROSITE-ProRule","id":"PRU00398","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI9
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_FI10
Number of Residues10
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q9UGN5","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI11
Number of Residues2
DetailsModified residue: {"description":"Phosphothreonine; by PRKDC","evidences":[{"source":"PubMed","id":"35460603","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI12
Number of Residues4
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI13
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_FI14
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

239803

PDB entries from 2025-08-06

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