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5AKU

Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1,2, 3,4-tetrahydroquinazolin-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 Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 2162
ChainResidue
AARG977
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH3031
AHOH3036

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 2162
ChainResidue
BARG980
BLYS1067
BGLN1070
BHOH3036
BHOH3041
BHOH3127
BARG977
BHIS979

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 2163
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH3056
BHOH3058

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 2163
ChainResidue
AASN990
AARG991
APRO1160
AGLU1161
AHOH3049
AHOH3176

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 29F A 2164
ChainResidue
AHIS1031
AGLY1032
APHE1035
ATYR1050
ATYR1060
APHE1061
AALA1062
ALYS1067
ASER1068
ATYR1071
AGLU1138

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 29F B 2164
ChainResidue
BHIS1031
BGLY1032
BSER1033
BALA1049
BTYR1050
BTYR1060
BPHE1061
BALA1062
BLYS1067
BSER1068
BTYR1071
BGLU1138

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2165
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2165
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL B 2166
ChainResidue
BPRO1129
BSER1130
BVAL1131
BASN1132
BGLY1133

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 2166
ChainResidue
AGLU978
AHIS979
AGLY982
AGLY983
AGLY987
AILE988
APHE989
AHOH3029
AHOH3047

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 2167
ChainResidue
BSER974
BTHR975
BVAL976
BASN1064
BPHE1110
BLEU1134
BLEU1136

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 2168
ChainResidue
BGLU978
BHIS979
BGLY982
BGLY983
BILE988
BPHE989
BHOH3035
BHOH3053
BHOH3055

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

224004

PDB entries from 2024-08-21

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