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6VKO

Crystal Structure of human PARP-1 CAT domain bound to inhibitor UKTT15

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ ADP-ribosyltransferase activity
C0003950molecular_functionNAD+ ADP-ribosyltransferase activity
D0003950molecular_functionNAD+ ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue L1S A 1101
ChainResidue
AGLN717
AVAL886
ATHR887
AGLY888
ATYR889
ATYR896
APHE897
ALYS903
ASER904
ATYR907
AGLU988
AALA755
AVAL758
AGLN759
AALA762
AGLU763
AASP766
AHIS862
AGLY863

site_idAC2
Number of Residues3
Detailsbinding site for residue SO4 A 1102
ChainResidue
ALYS903
ALEU985
ATYR986

site_idAC3
Number of Residues3
Detailsbinding site for residue SO4 A 1103
ChainResidue
AARG858
AMET929
ALYS949

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 1104
ChainResidue
ALYS838
AGLN846
ALYS849
AASP965
ALYS1000
BLYS943

site_idAC5
Number of Residues17
Detailsbinding site for residue L1S B 1101
ChainResidue
BALA755
BVAL758
BGLN759
BGLU763
BASP766
BHIS862
BGLY863
BVAL886
BTHR887
BGLY888
BTYR889
BTYR896
BPHE897
BLYS903
BSER904
BTYR907
BGLU988

site_idAC6
Number of Residues4
Detailsbinding site for residue SO4 B 1102
ChainResidue
BLYS903
BLEU984
BLEU985
BTYR986

site_idAC7
Number of Residues3
Detailsbinding site for residue SO4 B 1103
ChainResidue
BARG858
BMET929
BLYS949

site_idAC8
Number of Residues3
Detailsbinding site for residue SO4 B 1104
ChainResidue
ALYS943
BGLN846
BLYS849

site_idAC9
Number of Residues15
Detailsbinding site for residue L1S C 1101
ChainResidue
CALA755
CGLN759
CGLU763
CASP766
CHIS862
CGLY863
CTHR887
CGLY888
CTYR889
CTYR896
CPHE897
CLYS903
CSER904
CTYR907
CGLU988

site_idAD1
Number of Residues3
Detailsbinding site for residue SO4 C 1102
ChainResidue
CLYS903
CLEU985
CTYR986

site_idAD2
Number of Residues3
Detailsbinding site for residue SO4 C 1103
ChainResidue
CARG858
CMET929
CLYS949

site_idAD3
Number of Residues2
Detailsbinding site for residue SO4 C 1104
ChainResidue
CGLN846
CLYS849

site_idAD4
Number of Residues14
Detailsbinding site for residue L1S D 1101
ChainResidue
DALA755
DGLN759
DGLU763
DASP766
DHIS862
DGLY863
DTHR887
DGLY888
DTYR889
DTYR896
DLYS903
DSER904
DTYR907
DGLU988

site_idAD5
Number of Residues4
Detailsbinding site for residue SO4 D 1102
ChainResidue
DLYS903
DLEU984
DLEU985
DTYR986

site_idAD6
Number of Residues3
Detailsbinding site for residue SO4 D 1103
ChainResidue
DARG858
DMET929
DLYS949

site_idAD7
Number of Residues2
Detailsbinding site for residue SO4 D 1104
ChainResidue
DGLN846
DLYS849

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: For poly [ADP-ribose] polymerase activity => ECO:0000305|PubMed:32028527, ECO:0000305|PubMed:7852410, ECO:0000305|PubMed:9315851
ChainResidueDetails
AGLU988
BGLU988
CGLU988
DGLU988

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:Q9UGN5
ChainResidueDetails
AHIS862
CGLY871
CARG878
CSER904
DHIS862
DGLY871
DARG878
DSER904
AGLY871
AARG878
ASER904
BHIS862
BGLY871
BARG878
BSER904
CHIS862

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER782
BSER782
CSER782
DSER782

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER786
BSER786
CSER786
DSER786

site_idSWS_FT_FI5
Number of Residues8
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25218447, ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS748
BLYS748
CLYS748
DLYS748

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PDB entries from 2024-06-19

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