4U6A

X-ray crystal structure of human TNKS in complex with a small molecule inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	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	11
Details	binding site for residue 3DN A 1402

Chain	Residue
A	TYR1213
A	LYS1220
A	SER1221
A	TYR1224
A	ILE1228
A	GOL1405
A	HIS1184
A	GLY1185
A	PHE1188
A	ALA1202
A	TYR1203

---

site_id	AC3
Number of Residues	12
Details	binding site for residue GOL A 1403

Chain	Residue
A	ARG1165
A	GLU1199
A	ARG1200
A	HIS1270
A	ALA1271
A	HIS1276
A	TYR1295
A	ARG1296
A	GLN1299
A	GOL1407
A	GOL1407
A	HOH1501

---

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL A 1404

Chain	Residue
A	HIS1184
A	SER1186
A	ILE1192
A	PHE1197
A	ASP1198
A	HIS1201
A	ILE1212
A	HOH1545
A	HOH1565

---

site_id	AC5
Number of Residues	6
Details	binding site for residue GOL A 1405

Chain	Residue
A	TYR1203
A	ILE1204
A	GLY1205
A	ILE1228
A	3DN1402
A	HOH1546

---

site_id	AC6
Number of Residues	2
Details	binding site for residue EDO A 1406

Chain	Residue
A	PRO1273
A	HIS1275

---

site_id	AC7
Number of Residues	10
Details	binding site for residue GOL A 1407

Chain	Residue
A	GLU1199
A	GLU1199
A	HIS1270
A	HIS1270
A	TYR1295
A	TYR1295
A	ARG1296
A	ARG1296
A	GOL1403
A	GOL1403

---

site_id	AC8
Number of Residues	8
Details	binding site for residue EDO A 1408

Chain	Residue
A	HIS1164
A	HIS1164
A	ARG1165
A	GLU1168
A	GLU1168
A	GLU1298
A	GLU1298
A	HOH1504

---

site_id	AC9
Number of Residues	2
Details	binding site for residue GOL A 1409

Chain	Residue
A	LYS1152
A	LYS1152

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
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

---