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5NWB

Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-3,4-dihydroquinazolin-4-one

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 Residues8
Detailsbinding site for residue SO4 A 1201
ChainResidue
AARG977
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH1331
AHOH1340
CHOH1304

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 1202
ChainResidue
AARG991
CPRO1160
CGLU1161
CHOH1305
CHOH1313
AASN990

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

site_idAC4
Number of Residues15
Detailsbinding site for residue 9C5 A 1204
ChainResidue
AHIS1031
AGLY1032
APHE1035
AHIS1048
AALA1049
ATYR1050
ATYR1060
ALYS1067
ASER1068
ATYR1071
AHOH1320
AHOH1322
AHOH1390
AHOH1410
CGLU1138

site_idAC5
Number of Residues7
Detailsbinding site for residue GOL A 1205
ChainResidue
AGLU978
AHIS979
AGLY982
AGLY983
AILE988
APHE989
AHOH1328

site_idAC6
Number of Residues4
Detailsbinding site for residue GOL C 1201
ChainResidue
CPRO1129
CSER1130
CASN1132
CGLY1133

site_idAC7
Number of Residues7
Detailsbinding site for residue SO4 B 1201
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH1351
DHOH1212

site_idAC8
Number of Residues6
Detailsbinding site for residue SO4 B 1202
ChainResidue
BASN990
BARG991
DPRO1160
DGLU1161
DHOH1205
DHOH1207

site_idAC9
Number of Residues4
Detailsbinding site for residue ZN B 1203
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAD1
Number of Residues12
Detailsbinding site for residue 9C5 B 1204
ChainResidue
BHIS1031
BGLY1032
BPRO1034
BPHE1035
BALA1049
BTYR1050
BTYR1060
BLYS1067
BSER1068
BTYR1071
BILE1075
DGLU1138

site_idAD2
Number of Residues4
Detailsbinding site for residue GOL B 1205
ChainResidue
BHIS979
BILE988
BPHE989
BHOH1371

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 2024-07-10

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