1SNF

MYCOBACTERIUM TUBERCULOSIS DUTPASE COMPLEXED WITH MAGNESIUM AND DEOXYURIDINE 5'-MONOPHOSPHATE

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	7
Details	BINDING SITE FOR RESIDUE MG C 1171

Chain	Residue
A	UMP1170
A	HOH2198
A	HOH2224
A	HOH2247
C	HOH3227
C	HOH3229
C	HOH3236

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 2171

Chain	Residue
B	UMP2170
B	HOH3239
B	HOH3248
A	HOH2243
A	HOH2244

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 3171

Chain	Residue
B	HOH3241
B	HOH3244
B	HOH3247
C	UMP3170
C	HOH3255

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NO3 B 3172

Chain	Residue
B	ARG64
B	GLY66
B	LEU67
B	ARG70
B	ALA133
B	HOH3251

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NO3 C 1172

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

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NO3 A 2172

Chain	Residue
A	VAL122
A	GLU123
A	LEU124
C	SER18
C	ARG19
C	VAL27
C	HOH3208

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE UMP A 1170

Chain	Residue
A	ASN77
A	GLY80
A	THR81
A	ILE82
A	ASP83
A	TYR86
A	GLU89
A	ILE90
A	LYS91
A	HOH2184
A	HOH2198
A	HOH2206
A	HOH2233
A	HOH2240
A	HOH2247
C	SER65
C	GLN113
C	MG1171

---

site_id	AC8
Number of Residues	17
Details	BINDING SITE FOR RESIDUE UMP B 2170

Chain	Residue
A	ARG64
A	SER65
A	MG2171
B	ASN77
B	GLY80
B	THR81
B	ILE82
B	ASP83
B	TYR86
B	GLU89
B	ILE90
B	LYS91
B	HOH3188
B	HOH3239
B	HOH3248
B	HOH3256
B	HOH3257

---

site_id	AC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE UMP C 3170

Chain	Residue
B	SER65
B	GLY66
B	MG3171
C	ASN77
C	GLY80
C	THR81
C	ILE82
C	ASP83
C	TYR86
C	GLU89
C	ILE90
C	LYS91
C	HOH3183
C	HOH3212
C	HOH3221
C	HOH3242
C	HOH3255

---

site_id	BC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE TRS B 3173

Chain	Residue
C	VAL76
A	SER74
A	ILE75
A	VAL76
A	HOH2176
B	SER74
B	ILE75
B	VAL76
B	HOH3182
B	HOH3185
C	SER74
C	ILE75

---

site_id	BC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE TRS B 3174

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

---

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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