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5AL1

Crystal structure of TNKS2 in complex with 2-(4-tert-butylphenyl)-1H, 2H,3H,4H-pyrido(2,3-d)pyrimidin-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
AHOH3047
AHOH3154

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 2163
ChainResidue
APRO1160
AGLU1161
AHOH3064
AHOH3066
AASN990
AARG991

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2164
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 2165
ChainResidue
AARG1128
APRO1129
APRO1129
ASER1130
AVAL1131
AASN1132
AGLY1133

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 2166
ChainResidue
AGLU978
AHIS979
AGLY982
AGLY983
AILE988
APHE989
AHOH3040
AHOH3062

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE GN5 A 2167
ChainResidue
AHIS1031
AGLY1032
ATYR1050
ATYR1060
APHE1061
AALA1062
ALYS1067
ASER1068
ATYR1071
AGLU1138
AHOH3158
AHOH3159

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 2162
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH3040
BHOH3045

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 2163
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH3060

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2164
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 2165
ChainResidue
BGLU978
BHIS979
BGLY982
BGLY983
BILE988
BPHE989
BHOH3037
BHOH3057

site_idBC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE GN5 B 2166
ChainResidue
BHIS1031
BGLY1032
BPHE1035
BTYR1050
BTYR1060
BPHE1061
BALA1062
BSER1068
BTYR1071
BILE1075
BGLU1138
BHOH3131
BHOH3132

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 2024-04-17

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