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5AL3

Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one

Functional Information from GO Data
ChainGOidnamespacecontents
A0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
B0003950molecular_functionNAD+ poly-ADP-ribosyltransferase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 3162
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 3162
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 3163
ChainResidue
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH2121
AHOH2123
AHOH2168
AARG977

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 3163
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH2030
BHOH2032
BHOH2105

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 3164
ChainResidue
AASN990
AARG991
APRO1160
AGLU1161
AHOH2053
AHOH2055

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 3164
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH2043
BHOH2046
BHOH2157

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 3165
ChainResidue
BARG977
BHIS979
BGLY983
BGLY987
BILE988
BPHE989
BHOH2042

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 3165
ChainResidue
ASER974
ATHR975
AVAL976
AASN1064
APHE1110
ALEU1134
ALEU1136

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 3166
ChainResidue
AARG1128
APRO1129
ASER1130
AVAL1131
AASN1132
AGLY1133
AGLY1133

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 3167
ChainResidue
AARG977
AHIS979
AGLY983
AGLY987
AILE988
APHE989
AHOH2052

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"O95271","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

246333

PDB entries from 2025-12-17

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