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5NWG

Crystal structure of TNKS2 in complex with 7-chloro-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
H0003950molecular_functionNAD+ ADP-ribosyltransferase activity
I0003950molecular_functionNAD+ 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
AHOH1302
AHOH1305
HHOH1304
HHOH1314

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 1202
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC3
Number of Residues14
Detailsbinding site for residue 9CB A 1203
ChainResidue
AHIS1031
AGLY1032
ASER1033
APRO1034
APHE1035
ATYR1050
ATYR1060
ALYS1067
ASER1068
ATYR1071
AILE1075
AHOH1301
AHOH1337
HGLU1138

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL H 1201
ChainResidue
HPRO1129
HPRO1129
HSER1130
HSER1130
HVAL1131
HASN1132
HGLY1133

site_idAC5
Number of Residues10
Detailsbinding site for residue SO4 B 1201
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH1301
BHOH1364
BHOH1392
BHOH1415
IHOH1203

site_idAC6
Number of Residues5
Detailsbinding site for residue SO4 B 1202
ChainResidue
BASN990
BARG991
IGLU1161
IHOH1206
IHOH1209

site_idAC7
Number of Residues4
Detailsbinding site for residue ZN B 1203
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC8
Number of Residues13
Detailsbinding site for residue 9CB B 1204
ChainResidue
BHIS1031
BGLY1032
BPRO1034
BPHE1035
BALA1049
BTYR1050
BTYR1060
BLYS1067
BSER1068
BTYR1071
BILE1075
BHOH1303
IGLU1138

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

221051

PDB entries from 2024-06-12

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