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

Chain	GOid	namespace	contents
A	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
B	0003950	molecular_function	NAD+ poly-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	17
Details	BINDING SITE FOR RESIDUE 1XQ A 1402

Chain	Residue
A	ASP1198
A	HIS1201
A	ALA1202
A	GLY1211
A	TYR1213
A	PHE1214
A	ALA1215
A	LYS1220
A	SER1221
A	TYR1224
A	ILE1228
A	GLU1291
A	HIS1184
A	GLY1185
A	PHE1188
A	ALA1191
A	PHE1197

---

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

Chain	Residue
A	HIS1176
A	HIS1177
A	ASN1178
A	GLU1179
A	HOH1533
B	HIS1176

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 1404

Chain	Residue
A	ARG1130
A	HIS1132
A	ARG1133
A	LYS1220
A	GLN1223
A	HOH1531

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1405

Chain	Residue
A	HIS1176
A	HOH1532
B	HIS1176
B	HIS1177
B	ASN1178

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1401

Chain	Residue
B	CYS1234
B	HIS1237
B	CYS1242
B	CYS1245

---

site_id	AC7
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 1XQ B 1402

Chain	Residue
B	HIS1184
B	GLY1185
B	SER1186
B	PHE1188
B	ALA1191
B	ILE1192
B	PHE1197
B	ASP1198
B	HIS1201
B	ALA1202
B	GLY1211
B	TYR1213
B	PHE1214
B	ALA1215
B	LYS1220
B	SER1221
B	TYR1224
B	ILE1228
B	GLU1291

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 1403

Chain	Residue
B	ARG1130
B	HIS1132
B	ARG1133
B	LYS1220
B	GLN1223
B	HOH1503

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18436240","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2RF5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UDD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UH2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3UH4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DVI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4I9I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K4E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K4F","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4KRS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4LI6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4LI8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4MSG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4MSK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4MT9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N3R","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4N4V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OA7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TOR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4TOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4W5S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4W6E","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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