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5AL2

Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 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
AHOH2023
AHOH2025

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 2162
ChainResidue
BARG980
BLYS1067
BGLN1070
BHOH2015
BARG977
BHIS979

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 2163
ChainResidue
BASN990
BARG991
BPRO1160
BGLU1161
BHOH2023

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 2163
ChainResidue
AASN990
AARG991
APRO1160
AGLU1161
AHOH2033

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE O53 B 2164
ChainResidue
BHIS1031
BGLY1032
BPHE1035
BALA1049
BTYR1050
BTYR1060
BPHE1061
BALA1062
BLYS1067
BSER1068
BTYR1071
BGLU1138
BHOH2055

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE O53 A 2164
ChainResidue
AHIS1031
AGLY1032
ASER1033
AALA1049
ATYR1050
ATYR1060
APHE1061
AALA1062
ALYS1067
ASER1068
ATYR1071
AGLU1138
AHOH2077

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 Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 2166
ChainResidue
BARG977
BGLU978
BHIS979
BGLY982
BGLY983
BILE988
BPHE989
BHOH2022

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

222415

PDB entries from 2024-07-10

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