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5AL4

Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)- 3,4,5,6,7,8-hexahydroquinazolin-4-one

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2162
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2162
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 2163
ChainResidue
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH2038
AHOH2112
AHOH2150
AARG977

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 2163
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH2027
BHOH2029
BHOH2112

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 2164
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH2040

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 2164
ChainResidue
AASN990
AARG991
APRO1160
AGLU1161
AHOH2049
AHOH2051
AHOH2156

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 2165
ChainResidue
BARG977
BGLU978
BHIS979
BGLY983
BGLY987
BILE988
BPHE989
BHOH2038
BHOH2039

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE WLH A 2165
ChainResidue
AHIS1031
AGLY1032
ASER1033
ATYR1050
ATYR1060
ASER1068
ATYR1071
AILE1075
AGLU1138

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE WLH B 2166
ChainResidue
BHIS1031
BGLY1032
BSER1033
BTYR1050
BTYR1060
BSER1068
BTYR1071

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 2166
ChainResidue
APRO1129
ASER1130
AVAL1131
AVAL1131
AGLY1133
AGLY1133

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

218853

PDB entries from 2024-04-24

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