1SMC

Mycobacterium tuberculosis dUTPase complexed with dUTP in the absence of metal ion.

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	6
Details	BINDING SITE FOR RESIDUE NO3 C 155

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

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site_id	AC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DUT C 1170

Chain	Residue
A	ILE82
A	ASP83
A	TYR86
A	GLU89
A	ILE90
A	LYS91
B	ARG140
C	ARG64
C	SER65
C	GLY66
C	GLN113
C	HOH197
C	HOH204
C	HOH232
C	HOH282
C	HOH292
C	HOH369
A	ASN77
A	GLY80
A	THR81

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DUT A 2170

Chain	Residue
A	ARG64
A	SER65
A	GLY66
A	GLN113
A	HOH182
A	HOH222
A	HOH269
A	HOH314
A	HOH364
A	HOH365
B	ASN77
B	GLY80
B	THR81
B	ILE82
B	ASP83
B	TYR86
B	GLU89
B	ILE90
B	LYS91
B	HOH251

---

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DUT C 3170

Chain	Residue
B	ASP28
B	PRO63
B	ARG64
B	SER65
B	GLY66
B	GLN113
B	HOH306
C	ASN77
C	GLY80
C	THR81
C	ILE82
C	ASP83
C	TYR86
C	GLU89
C	ILE90
C	LYS91
C	HOH169
C	HOH241
C	HOH275

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TRS C 3171

Chain	Residue
A	SER74
A	ILE75
A	VAL76
B	SER74
B	ILE75
C	SER74
C	ILE75
C	VAL76
C	LEU97
C	HOH181
C	HOH191
C	HOH198

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TRS A 2171

Chain	Residue
A	LEU60
A	HIS62
A	PRO79
A	GLN117
B	LEU60
B	HIS62
B	GLN117
C	LEU60
C	HIS62
C	PRO79
C	GLN117

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TRS B 155

Chain	Residue
A	GLY40
B	LEU97
B	HOH236
B	HOH301
B	HOH344
C	GLY40
C	ASN96

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	15
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00116","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15276840","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15276840","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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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

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

Chain	Residue	Details
B	GLY85
B	ASP83

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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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