4B0H

B. subtilis dUTPase YncF in complex with dU, PPi and Mg b (P212121)

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	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	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	0046081	biological_process	dUTP catabolic process
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 1133

Chain	Residue
A	TRP25
A	HIS59
A	HOH2118
A	HOH2282
C	HIS59

---

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE DUR A 1132

Chain	Residue
A	ASP82
A	TYR85
A	TRP92
A	PHE93
A	PRO95
A	HOH2239
A	HOH2242
B	SER64
C	ARG135
C	GLY137
C	LEU138
C	POP1149
A	ASN76
A	GLY79
A	VAL80
A	ILE81

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE PG4 A 1134

Chain	Residue
A	LEU10
A	ASP11
A	THR13
A	GLN14
A	ALA31
A	GLU32
A	LEU43
A	PRO45
A	PHE93
A	LYS106
A	HOH2075
A	HOH2130
A	HOH2194
A	HOH2270
A	HOH2324
A	HOH2325
A	HOH2326
A	HOH2327
B	HOH2181

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE DUR B 1145

Chain	Residue
B	ASN76
B	GLY79
B	VAL80
B	ILE81
B	TYR85
B	TRP92
B	PHE93
B	HIS129
B	HOH2201
B	HOH2209
B	HOH2298
B	HOH2299
B	HOH2300
C	SER64
C	ASP88

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR RESIDUE POP B 1146

Chain	Residue
A	ARG63
A	SER64
A	SER65
A	HOH2124
A	HOH2125
A	HOH2276
B	ARG135
B	GLY137
B	GLY139
B	SER140
B	THR141
B	MG1147
B	HOH2285
C	DUR1148

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 1147

Chain	Residue
A	HOH2124
A	HOH2125
A	HOH2276
B	POP1146
B	HOH2285

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL C 1145

Chain	Residue
A	HOH2118
B	HIS59
C	HIS59

---

site_id	AC8
Number of Residues	15
Details	BINDING SITE FOR RESIDUE DUR C 1148

Chain	Residue
A	SER64
A	HOH2277
B	ARG135
B	GLY137
B	LEU138
B	POP1146
C	ASN76
C	GLY79
C	VAL80
C	ILE81
C	ASP82
C	TYR85
C	TRP92
C	PHE93
C	PRO95

---

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE POP C 1149

Chain	Residue
C	ARG135
C	GLY137
C	GLY139
C	SER140
C	THR141
C	MG1150
C	HOH2286
A	DUR1132
A	HOH2242
B	ARG63
B	SER64
B	SER65
B	HOH2103
B	HOH2104

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 1150

Chain	Residue
A	HOH2242
B	HOH2103
B	HOH2104
C	POP1149
C	HOH2286

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Proton acceptor => ECO:0000305|PubMed:20823546, ECO:0000305|PubMed:23897460

Chain	Residue	Details
A	ASP82
B	ASP82
C	ASP82

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000305|PubMed:20823546, ECO:0007744|PDB:2XCE

Chain	Residue	Details
A	SER64
C	ASN76
C	TYR85
C	PHE93
A	ASN76
A	TYR85
A	PHE93
B	SER64
B	ASN76
B	TYR85
B	PHE93
C	SER64

---