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5NVE

Crystal structure of TNKS2 in complex with 2-(4-ethoxyphenyl)-3,4-dihydroquinazolin-4-one

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+-protein poly-ADP-ribosyltransferase activity
B0003950molecular_functionNAD+-protein poly-ADP-ribosyltransferase activity
H0003950molecular_functionNAD+-protein poly-ADP-ribosyltransferase activity
I0003950molecular_functionNAD+-protein poly-ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue SO4 A 1201
ChainResidue
AARG977
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH1301
AHOH1321
AHOH1332
HHOH1306

site_idAC2
Number of Residues5
Detailsbinding site for residue SO4 A 1202
ChainResidue
AASN990
AARG991
HPRO1160
HGLU1161
HHOH1315

site_idAC3
Number of Residues4
Detailsbinding site for residue ZN A 1203
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC4
Number of Residues12
Detailsbinding site for residue 9AQ A 1204
ChainResidue
AHIS1031
AGLY1032
ASER1033
APHE1035
AALA1049
ATYR1050
ATYR1060
ALYS1067
ASER1068
ATYR1071
AILE1075
HGLU1138

site_idAC5
Number of Residues9
Detailsbinding site for residue GOL H 1201
ChainResidue
HARG1128
HPRO1129
HPRO1129
HSER1130
HSER1130
HVAL1131
HVAL1131
HASN1132
HGLY1133

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 B 1201
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH1363
BHOH1367

site_idAC7
Number of Residues4
Detailsbinding site for residue SO4 B 1202
ChainResidue
BASN990
BARG991
BHOH1357
IGLU1161

site_idAC8
Number of Residues4
Detailsbinding site for residue ZN B 1203
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC9
Number of Residues11
Detailsbinding site for residue 9AQ B 1204
ChainResidue
BHIS1031
BGLY1032
BPHE1035
BALA1049
BTYR1050
BTYR1060
BLYS1067
BSER1068
BTYR1071
BILE1075
IGLU1138

site_idAD1
Number of Residues7
Detailsbinding site for residue GOL B 1205
ChainResidue
BGLU978
BHIS979
BGLY983
BGLY987
BILE988
BPHE989
BHOH1301

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250|UniProtKB:O95271
ChainResidueDetails
ACYS1081
AHIS1084
ACYS1089
ACYS1092
BCYS1081
BHIS1084
BCYS1089
BCYS1092

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PDB entries from 2024-11-13

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