1SJN

Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004170	molecular_function	dUTP diphosphatase activity
A	0006226	biological_process	dUMP biosynthetic process
A	0009117	biological_process	nucleotide metabolic process
A	0016787	molecular_function	hydrolase activity
A	0046080	biological_process	dUTP metabolic process
A	0046081	biological_process	dUTP catabolic process
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0004170	molecular_function	dUTP diphosphatase activity
B	0006226	biological_process	dUMP biosynthetic process
B	0009117	biological_process	nucleotide metabolic process
B	0016787	molecular_function	hydrolase activity
B	0046080	biological_process	dUTP metabolic process
B	0046081	biological_process	dUTP catabolic process
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0004170	molecular_function	dUTP diphosphatase activity
C	0006226	biological_process	dUMP biosynthetic process
C	0009117	biological_process	nucleotide metabolic process
C	0016787	molecular_function	hydrolase activity
C	0046080	biological_process	dUTP metabolic process
C	0046081	biological_process	dUTP catabolic process
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 171

Chain	Residue
A	HOH1218
A	HOH1221
B	DUP3170
B	HOH3212

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 171

Chain	Residue
A	DUP1170
A	HOH1220
C	HOH192
C	HOH217

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 171

Chain	Residue
B	HOH3174
B	HOH3207
B	HOH3239
B	DUP2170

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NO3 C 172

Chain	Residue
A	PHE130
A	ASP131
B	THR4
B	ALA6
C	ARG87
C	VAL127

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 B 172

Chain	Residue
B	GLY66
B	LEU67
B	ARG70
B	VAL127
B	ALA133
B	HOH3210
B	HOH3220

---

site_id	AC6
Number of Residues	26
Details	BINDING SITE FOR RESIDUE DUP A 1170

Chain	Residue
A	ASN77
A	GLY80
A	THR81
A	ILE82
A	ASP83
A	TYR86
A	ILE90
A	LYS91
A	HOH1172
A	HOH1177
A	HOH1178
A	HOH1186
A	HOH1202
A	HOH1210
A	HOH1220
A	HOH1226
A	HOH1231
B	ARG140
C	ARG64
C	SER65
C	GLY66
C	GLN113
C	MG171
C	HOH192
C	HOH202
C	HOH217

---

site_id	AC7
Number of Residues	27
Details	BINDING SITE FOR RESIDUE DUP B 2170

Chain	Residue
B	PRO63
B	ARG64
B	SER65
B	GLY66
B	GLN113
B	MG171
B	HOH3174
B	HOH3178
B	HOH3207
B	HOH3210
B	HOH3220
B	HOH3222
B	HOH3226
B	HOH3229
B	HOH3231
B	HOH3236
B	HOH3238
B	HOH3239
C	ASN77
C	GLY80
C	THR81
C	ILE82
C	ASP83
C	TYR86
C	ILE90
C	LYS91
C	HOH175

---

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE DUP B 3170

Chain	Residue
C	ARG140
C	GLY144
C	HIS145
A	ARG64
A	SER65
A	GLY66
A	MG171
A	HOH1218
A	HOH1221
B	ASN77
B	GLY80
B	THR81
B	ILE82
B	ASP83
B	TYR86
B	ILE90
B	LYS91
B	HOH3172
B	HOH3186
B	HOH3188
B	HOH3212
B	HOH3214
B	HOH3233
B	HOH3242

---

site_id	AC9
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TRS A 1171

Chain	Residue
A	SER74
A	ILE75
A	VAL76
A	HOH1174
B	SER74
B	ILE75
B	VAL76
B	HOH3179
C	SER74
C	ILE75
C	VAL76
C	HOH215

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	9
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00116, ECO:0000269|PubMed:15276840

Chain	Residue	Details
A	ARG64
A	ASN77
A	THR81
B	ARG64
B	ASN77
B	THR81
C	ARG64
C	ASN77
C	THR81

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:15276840

Chain	Residue	Details
A	LYS91
B	LYS91
C	LYS91

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
A	GLY85
A	ASP83

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
B	GLY85
B	ASP83

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
C	GLY85
C	ASP83

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