4WRK

The 3D structure of D95N mutant DUTPase from phage phi11 of S. aureus reveals the molecular details for the coordination of a structural Mg(II) 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	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	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	0016787	molecular_function	hydrolase activity
C	0046081	biological_process	dUTP catabolic process
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0004170	molecular_function	dUTP diphosphatase activity
D	0006226	biological_process	dUMP biosynthetic process
D	0016787	molecular_function	hydrolase activity
D	0046081	biological_process	dUTP catabolic process
D	0046872	molecular_function	metal ion binding
E	0000287	molecular_function	magnesium ion binding
E	0004170	molecular_function	dUTP diphosphatase activity
E	0006226	biological_process	dUMP biosynthetic process
E	0016787	molecular_function	hydrolase activity
E	0046081	biological_process	dUTP catabolic process
E	0046872	molecular_function	metal ion binding
F	0000287	molecular_function	magnesium ion binding
F	0004170	molecular_function	dUTP diphosphatase activity
F	0006226	biological_process	dUMP biosynthetic process
F	0016787	molecular_function	hydrolase activity
F	0046081	biological_process	dUTP catabolic process
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue DUP A 201

Chain	Residue
A	ARG64
B	GLY89
A	SER65
A	GLY66
A	MG202
B	GLY78
B	LYS79
B	ILE80
B	ASP81
B	TYR84

---

site_id	AC2
Number of Residues	1
Details	binding site for residue MG A 202

Chain	Residue
A	DUP201

---

site_id	AC3
Number of Residues	12
Details	binding site for residue DUP B 201

Chain	Residue
B	ARG64
B	SER65
B	GLY66
B	GLN136
B	MG202
B	HOH302
C	GLY78
C	LYS79
C	ASP81
C	TYR84
C	GLY89
C	HOH307

---

site_id	AC4
Number of Residues	2
Details	binding site for residue MG B 202

Chain	Residue
B	DUP201
B	HOH301

---

site_id	AC5
Number of Residues	11
Details	binding site for residue DUP C 201

Chain	Residue
A	LYS79
A	ILE80
A	ASP81
A	TYR84
A	GLY89
B	PHE164
C	ARG64
C	SER65
C	GLY66
C	GLN136
C	MG202

---

site_id	AC6
Number of Residues	2
Details	binding site for residue MG C 202

Chain	Residue
C	ASP28
C	DUP201

---

site_id	AC7
Number of Residues	13
Details	binding site for residue DUP D 201

Chain	Residue
D	ARG64
D	SER65
D	GLY66
D	GLN136
D	MG203
D	HOH302
E	GLY78
E	LYS79
E	ILE80
E	ASP81
E	TYR84
E	GLY89
F	PHE164

---

site_id	AC8
Number of Residues	13
Details	binding site for residue DUP D 202

Chain	Residue
D	GLY78
D	LYS79
D	ILE80
D	ASP81
D	TYR84
D	GLY89
E	PHE164
F	ARG64
F	SER65
F	GLY66
F	GLN136
F	MG202
F	HOH309

---

site_id	AC9
Number of Residues	3
Details	binding site for residue MG D 203

Chain	Residue
D	ASP28
D	GLN136
D	DUP201

---

site_id	AD1
Number of Residues	1
Details	binding site for residue MG E 201

Chain	Residue
F	DUP201

---

site_id	AD2
Number of Residues	12
Details	binding site for residue DUP F 201

Chain	Residue
E	ARG64
E	SER65
E	GLY66
E	GLN136
E	MG201
F	GLY78
F	LYS79
F	ILE80
F	ASP81
F	TYR84
F	GLY89
F	HOH305

---

site_id	AD3
Number of Residues	2
Details	binding site for residue MG F 202

Chain	Residue
D	DUP202
F	HOH309

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