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4PJT

Structure of PARP1 catalytic domain bound to inhibitor BMN 673

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 Residues4
Detailsbinding site for residue SO4 A 1101
ChainResidue
ALYS903
ALEU984
ALEU985
ATYR986

site_idAC2
Number of Residues3
Detailsbinding site for residue SO4 A 1102
ChainResidue
AARG858
AMET929
ALYS949

site_idAC3
Number of Residues8
Detailsbinding site for residue SO4 A 1103
ChainResidue
ACYS845
AGLN846
BGLY843
BGLU844
BCYS845
BGLN846
AARG841
AGLY843

site_idAC4
Number of Residues5
Detailsbinding site for residue SO4 A 1104
ChainResidue
ASER808
AGLU809
AGLU810
AHOH1286
CHIS937

site_idAC5
Number of Residues16
Detailsbinding site for residue 2YQ A 1105
ChainResidue
AGLN759
AGLU763
AHIS862
AGLY863
AGLY888
ATYR889
ATYR896
APHE897
AALA898
ALYS903
ASER904
ATYR907
AGLU988
AHOH1220
AHOH1231
AHOH1272

site_idAC6
Number of Residues4
Detailsbinding site for residue GOL A 1106
ChainResidue
ALYS933
AHIS934
AALA935
ASER936

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 1107
ChainResidue
AGLY944
AHIS946
DPRO850
DLEU854
DHIS946

site_idAC8
Number of Residues4
Detailsbinding site for residue SO4 B 1101
ChainResidue
BLYS903
BLEU984
BLEU985
BTYR986

site_idAC9
Number of Residues6
Detailsbinding site for residue SO4 B 1102
ChainResidue
AGLN846
ALYS849
BLYS838
BASP965
BLYS1000
BHOH1241

site_idAD1
Number of Residues3
Detailsbinding site for residue SO4 B 1103
ChainResidue
BARG858
BMET929
BLYS949

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 B 1104
ChainResidue
BLYS943
BGLY944
BHIS946
BSO41106
BHOH1234
CHIS946

site_idAD3
Number of Residues13
Detailsbinding site for residue 2YQ B 1105
ChainResidue
BHIS862
BGLY863
BGLY888
BTYR889
BTYR896
BPHE897
BALA898
BLYS903
BSER904
BTYR907
BGLU988
BHOH1221
BHOH1224

site_idAD4
Number of Residues5
Detailsbinding site for residue SO4 B 1106
ChainResidue
BLYS945
BHIS946
BGLN996
BSO41104
BHOH1213

site_idAD5
Number of Residues5
Detailsbinding site for residue SO4 C 1101
ChainResidue
CLYS903
CLEU985
CTYR986
CGOL1105
CHOH1266

site_idAD6
Number of Residues4
Detailsbinding site for residue SO4 C 1102
ChainResidue
CLYS838
CLYS1000
DGLN846
DLYS849

site_idAD7
Number of Residues3
Detailsbinding site for residue SO4 C 1103
ChainResidue
CSER702
CLYS703
CARG704

site_idAD8
Number of Residues15
Detailsbinding site for residue 2YQ C 1104
ChainResidue
CTYR896
CPHE897
CALA898
CLYS903
CSER904
CTYR907
CGLU988
CGOL1105
CHOH1224
CHOH1256
CGLN759
CHIS862
CGLY863
CGLY888
CTYR889

site_idAD9
Number of Residues8
Detailsbinding site for residue GOL C 1105
ChainResidue
CGLY888
CTYR889
CMET890
CTYR896
CGLU988
CSO41101
C2YQ1104
CHOH1215

site_idAE1
Number of Residues8
Detailsbinding site for residue SO4 D 1101
ChainResidue
CGLY843
CCYS845
CGLN846
DGLU842
DGLY843
DGLU844
DCYS845
DGLN846

site_idAE2
Number of Residues5
Detailsbinding site for residue SO4 D 1102
ChainResidue
DLYS903
DLEU984
DLEU985
DTYR986
DHOH1231

site_idAE3
Number of Residues3
Detailsbinding site for residue SO4 D 1103
ChainResidue
DARG858
DMET929
DLYS949

site_idAE4
Number of Residues16
Detailsbinding site for residue 2YQ D 1104
ChainResidue
DGLN759
DGLU763
DHIS862
DGLY863
DGLY888
DTYR889
DTYR896
DPHE897
DALA898
DLYS903
DSER904
DTYR907
DGLU988
DHOH1212
DHOH1237
DHOH1242

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

218853

PDB entries from 2024-04-24

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