4LI6

TANKYRASE-1 Complexed with small molecule inhibitor N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity
B	0003950	molecular_function	NAD+ ADP-ribosyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1401

Chain	Residue
A	CYS1234
A	HIS1237
A	CYS1242
A	CYS1245

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1402

Chain	Residue
A	HIS1176
A	HIS1177
A	ASN1178
A	HOH1603
B	HIS1176

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1403

Chain	Residue
A	ARG1130
A	HIS1132
A	ARG1133
A	LYS1220
A	GLN1223
A	HOH1542

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1404

Chain	Residue
A	HIS1176
B	HIS1176
B	HIS1177
B	ASN1178

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 1405

Chain	Residue
A	ASN1143
A	PRO1313
A	GLU1314
A	HOH1505

---

site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 1XO A 1406

Chain	Residue
A	HIS1184
A	GLY1185
A	SER1186
A	PRO1187
A	PHE1188
A	ASP1198
A	TYR1203
A	GLY1211
A	ILE1212
A	TYR1213
A	ALA1215
A	LYS1220
A	SER1221
A	TYR1224
A	ILE1228
A	GLU1291
A	HOH1604

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1401

Chain	Residue
B	CYS1234
B	HIS1237
B	CYS1242
B	CYS1245

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1402

Chain	Residue
B	ARG1130
B	HIS1132
B	ARG1133
B	LYS1220
B	HOH1505
B	HOH1573

---

site_id	AC9
Number of Residues	13
Details	BINDING SITE FOR RESIDUE 1XO B 1403

Chain	Residue
B	HIS1184
B	GLY1185
B	SER1186
B	PRO1187
B	PHE1188
B	ASP1198
B	GLY1211
B	TYR1213
B	LYS1220
B	SER1221
B	TYR1224
B	ILE1228
B	GLU1291

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269|PubMed:18436240, ECO:0007744|PDB:2RF5, ECO:0007744|PDB:3UDD, ECO:0007744|PDB:3UH2, ECO:0007744|PDB:3UH4, ECO:0007744|PDB:4DVI, ECO:0007744|PDB:4I9I, ECO:0007744|PDB:4K4E, ECO:0007744|PDB:4K4F, ECO:0007744|PDB:4KRS, ECO:0007744|PDB:4LI6, ECO:0007744|PDB:4LI8, ECO:0007744|PDB:4MSG, ECO:0007744|PDB:4MSK, ECO:0007744|PDB:4MT9, ECO:0007744|PDB:4N3R, ECO:0007744|PDB:4N4V, ECO:0007744|PDB:4OA7, ECO:0007744|PDB:4TOR, ECO:0007744|PDB:4TOS, ECO:0007744|PDB:4W5S, ECO:0007744|PDB:4W6E

Chain	Residue	Details
A	CYS1234
A	HIS1237
A	CYS1242
A	CYS1245
B	CYS1234
B	HIS1237
B	CYS1242
B	CYS1245

---