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4UVU

Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium

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 Residues11
DetailsBINDING SITE FOR RESIDUE U1T A 2162
ChainResidue
AHIS1031
ATYR1071
AGLU1138
AGLY1032
APHE1035
AALA1049
ATYR1050
ATYR1060
AALA1062
ALYS1067
ASER1068

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE U1T B 2162
ChainResidue
BHIS1031
BGLY1032
BPHE1035
BTYR1050
BTYR1060
BALA1062
BLYS1067
BSER1068
BTYR1071
BILE1075
BGLU1138

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2163
ChainResidue
BCYS1081
BHIS1084
BCYS1089
BCYS1092

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2163
ChainResidue
ACYS1081
AHIS1084
ACYS1089
ACYS1092

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 2164
ChainResidue
AARG977
AHIS979
AARG980
ALYS1067
AGLN1070
AHOH2033
AHOH2035
AHOH2104

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 2164
ChainResidue
BARG977
BHIS979
BARG980
BLYS1067
BGLN1070
BHOH2029
BHOH2031
BHOH2075
BHOH2101

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 2165
ChainResidue
AASN990
AARG991
APRO1160
AGLU1161
AHOH2045
AHOH2048

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 2165
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH2037

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 2166
ChainResidue
AARG1128
APRO1129
APRO1129
ASER1130
ASER1130
AVAL1131
AVAL1131
AASN1132
AGLY1133

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 2167
ChainResidue
AARG977
AGLU978
AHIS979
AGLY983
AGLY987
AILE988
APHE989
AHOH2044

site_idBC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 2166
ChainResidue
BVAL976
BARG977
BGLU978
BHIS979
BGLY983
BGLY987
BILE988
BPHE989
BHOH2036

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 2024-07-17

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