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4LI7

TANKYRASE-1 complexed with small molecule inhibitor 4-chloro-5-cyano-N-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-2-methoxybenzamide

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 1401
ChainResidue
AARG1130
AHIS1132
AARG1133
ALYS1220
AGLN1223
ATYR1289
AHOH1508

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1402
ChainResidue
AASN1178
BHIS1176
AHIS1176
AHIS1177

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1403
ChainResidue
AASN1143
APRO1313
AGLU1314
AHOH1579

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NA A 1404
ChainResidue
AHIS1184
ATYR1213
A1XP1405

site_idAC5
Number of Residues20
DetailsBINDING SITE FOR RESIDUE 1XP A 1405
ChainResidue
APHE1183
AHIS1184
AGLY1185
ASER1186
APHE1188
AALA1191
ALYS1195
AGLY1196
APHE1197
AASP1198
AHIS1201
ATYR1213
ASER1221
ATYR1224
AILE1228
AGLU1291
ANA1404
AHOH1510
AHOH1531
AHOH1564

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 1401
ChainResidue
BARG1130
BHIS1132
BARG1133
BLYS1220
BGLN1223
BHOH1519
BHOH1538

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 1402
ChainResidue
AHIS1176
BHIS1176
BHIS1177
BASN1178
BGLU1179

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NA B 1403
ChainResidue
BHIS1184
BTYR1213
B1XP1404

site_idAC9
Number of Residues19
DetailsBINDING SITE FOR RESIDUE 1XP B 1404
ChainResidue
BPHE1183
BHIS1184
BGLY1185
BSER1186
BPHE1188
BALA1191
BILE1192
BGLY1196
BPHE1197
BASP1198
BHIS1201
BALA1202
BTYR1213
BSER1221
BTYR1224
BILE1228
BGLU1291
BNA1403
BHOH1505

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PDB entries from 2024-07-17

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