1S3Y

Structure Determination of Tetrahydroquinazoline Antifolates in Complex with Human and Pneumocystis carinii Dihydrofolate Reductase: Correlations of Enzyme Selectivity and Stereochemistry

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005739	cellular_component	mitochondrion
A	0005829	cellular_component	cytosol
A	0006545	biological_process	glycine biosynthetic process
A	0006730	biological_process	one-carbon metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0046452	biological_process	dihydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE NAP A 207

Chain	Residue
A	GLY58
A	ALA126
A	GLN127
A	ARG59
A	LYS60
A	THR61
A	ILE80
A	THR81
A	ARG82
A	LYS96
A	GLY125

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE TQT A 208

Chain	Residue
A	ILE10
A	VAL11
A	LEU25
A	GLU32
A	ILE33
A	PHE36
A	SER64
A	PRO66
A	ILE123
A	TYR129
A	THR144

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Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	23
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGrsnsLPWklkk.EisyFkrvT

Chain	Residue	Details
A	GLY18-THR40

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000269|PubMed:10194348, ECO:0000269|PubMed:10736154, ECO:0000269|PubMed:12037296, ECO:0000269|PubMed:12198294, ECO:0000269|PubMed:17019704

Chain	Residue	Details
A	ALA12
A	GLY18
A	ARG59
A	THR81
A	GLY124

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000305|PubMed:10194348

Chain	Residue	Details
A	GLU32
A	ARG75

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