3T60

5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase

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	0006260	biological_process	DNA replication
A	0006399	biological_process	tRNA metabolic process
A	0009117	biological_process	nucleotide metabolic process
A	0016787	molecular_function	hydrolase activity
A	0042802	molecular_function	identical protein binding
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	0006260	biological_process	DNA replication
B	0006399	biological_process	tRNA metabolic process
B	0009117	biological_process	nucleotide metabolic process
B	0016787	molecular_function	hydrolase activity
B	0042802	molecular_function	identical protein binding
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	0006260	biological_process	DNA replication
C	0006399	biological_process	tRNA metabolic process
C	0009117	biological_process	nucleotide metabolic process
C	0016787	molecular_function	hydrolase activity
C	0042802	molecular_function	identical protein binding
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	11
Details	BINDING SITE FOR RESIDUE DUA A 182

Chain	Residue
A	PHE46
B	SER93
B	SER95
A	LEU88
A	ASN103
A	GLY106
A	TYR112
A	ILE117
A	ALA119
A	HOH191
B	SER92

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 183

Chain	Residue
A	ARG91
A	SER92
A	SER93
A	GLN138

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site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE DUA B 182

Chain	Residue
B	PHE46
B	LEU88
B	ASN103
B	GLY106
B	LEU107
B	TYR112
B	ILE117
B	HOH198
B	HOH205
C	SER92
C	SER93
C	SER95
C	HOH199

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site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 183

Chain	Residue
B	ARG91
B	SER92
B	SER93
B	GLN138

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site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE DUA C 182

Chain	Residue
A	SER92
A	SER93
A	SER95
C	PHE46
C	LEU88
C	ASN103
C	GLY106
C	LEU107
C	TYR112
C	ILE117
C	ALA119
C	HOH207

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site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 183

Chain	Residue
C	ARG91
C	SER92
C	SER93
C	GLN138

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