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4LI8

TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide

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 Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 1401
ChainResidue
ACYS1234
AHIS1237
ACYS1242
ACYS1245

site_idAC2
Number of Residues17
DetailsBINDING SITE FOR RESIDUE 1XQ A 1402
ChainResidue
AASP1198
AHIS1201
AALA1202
AGLY1211
ATYR1213
APHE1214
AALA1215
ALYS1220
ASER1221
ATYR1224
AILE1228
AGLU1291
AHIS1184
AGLY1185
APHE1188
AALA1191
APHE1197

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1403
ChainResidue
AHIS1176
AHIS1177
AASN1178
AGLU1179
AHOH1533
BHIS1176

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1404
ChainResidue
AARG1130
AHIS1132
AARG1133
ALYS1220
AGLN1223
AHOH1531

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1405
ChainResidue
AHIS1176
AHOH1532
BHIS1176
BHIS1177
BASN1178

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 1401
ChainResidue
BCYS1234
BHIS1237
BCYS1242
BCYS1245

site_idAC7
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 1XQ B 1402
ChainResidue
BHIS1184
BGLY1185
BSER1186
BPHE1188
BALA1191
BILE1192
BPHE1197
BASP1198
BHIS1201
BALA1202
BGLY1211
BTYR1213
BPHE1214
BALA1215
BLYS1220
BSER1221
BTYR1224
BILE1228
BGLU1291

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 1403
ChainResidue
BARG1130
BHIS1132
BARG1133
BLYS1220
BGLN1223
BHOH1503

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PDB entries from 2024-07-17

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