4UW1

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+ poly-ADP-ribosyltransferase activity
B	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
C	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
D	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
E	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
F	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
G	0003950	molecular_function	NAD+ poly-ADP-ribosyltransferase activity
H	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 2000

Chain	Residue
A	CYS1234
A	HIS1237
A	CYS1242
A	CYS1245

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 92R A 3000

Chain	Residue
A	TYR1224
A	ILE1228
A	GLU1291
A	GOL2314
A	HIS1184
A	GLY1185
A	TYR1203
A	TYR1213
A	SER1221

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 2000

Chain	Residue
B	CYS1234
B	HIS1237
B	CYS1242
B	CYS1245

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 92R B 3000

Chain	Residue
B	HIS1184
B	GLY1185
B	HIS1201
B	TYR1203
B	TYR1213
B	SER1221
B	TYR1224
B	GLU1291

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 2000

Chain	Residue
C	CYS1234
C	HIS1237
C	CYS1242
C	CYS1245

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 92R C 3000

Chain	Residue
A	ASN1285
C	HIS1184
C	GLY1185
C	SER1186
C	ALA1202
C	TYR1213
C	PHE1214
C	ALA1215
C	SER1221
C	TYR1224
C	GLU1291
C	GOL2315

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 2000

Chain	Residue
D	CYS1234
D	HIS1237
D	CYS1242
D	CYS1245

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 92R D 3000

Chain	Residue
B	ASN1285
D	HIS1184
D	GLY1185
D	TYR1203
D	TYR1213
D	ALA1215
D	TYR1224
D	ILE1228
D	GLU1291
D	GOL2316

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN E 2000

Chain	Residue
E	CYS1234
E	HIS1237
E	CYS1242
E	CYS1245

---

site_id	BC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 92R E 3000

Chain	Residue
E	HIS1184
E	GLY1185
E	SER1186
E	HIS1201
E	TYR1203
E	TYR1213
E	ALA1215
E	LYS1220
E	SER1221
E	TYR1224
E	GLU1291

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN F 2000

Chain	Residue
F	CYS1234
F	HIS1237
F	CYS1242
F	CYS1245

---

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 92R F 3000

Chain	Residue
F	HIS1184
F	GLY1185
F	SER1186
F	HIS1201
F	TYR1203
F	TYR1213
F	ALA1215
F	SER1221
F	TYR1224
F	GLU1291

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 2000

Chain	Residue
G	CYS1234
G	HIS1237
G	CYS1242
G	CYS1245

---

site_id	BC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 92R G 3000

Chain	Residue
G	HIS1184
G	GLY1185
G	SER1186
G	PHE1188
G	TYR1203
G	TYR1213
G	SER1221
G	TYR1224
G	GLU1291

---

site_id	BC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 2000

Chain	Residue
H	CYS1242
H	CYS1245
H	CYS1234
H	HIS1237

---

site_id	BC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 92R H 3000

Chain	Residue
H	HIS1184
H	GLY1185
H	HIS1201
H	TYR1203
H	TYR1213
H	SER1221
H	TYR1224
H	GLU1291

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL D 2316

Chain	Residue
D	HIS1184
D	ILE1192
D	ASP1198
D	HIS1201
D	92R3000

---

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 2315

Chain	Residue
C	HIS1184
C	SER1186
C	ASP1198
C	92R3000

---

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 2314

Chain	Residue
A	SER1186
A	PHE1188
A	ILE1192
A	ASP1198
A	HIS1201
A	92R3000

---

site_id	CC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO A 2315

Chain	Residue
A	PHE1142

---

site_id	CC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO C 2316

Chain	Residue
C	LYS1267

---

site_id	CC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO G 2314

Chain	Residue
A	GLU1199
G	HIS1270
G	ALA1271
G	HIS1276
G	TYR1295
G	ARG1296
G	GLN1299

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	32
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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