3NZA

Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)pyrido[2,3-d]pyrimidine Derivatives

Functional Information from GO Data

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE NDP X 208

Chain	Residue
X	VAL11
X	THR61
X	SER64
X	ILE80
X	THR81
X	ARG82
X	LYS96
X	ILE123
X	GLY125
X	ALA126
X	GLN127
X	ALA12
X	LEU128
X	TYR129
X	D2K207
X	HOH254
X	ILE19
X	ASN23
X	SER24
X	LEU25
X	GLY58
X	ARG59
X	LYS60

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site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE D2K X 207

Chain	Residue
X	ILE10
X	VAL11
X	ALA12
X	LEU25
X	GLU32
X	ILE33
X	PHE36
X	LYS37
X	SER64
X	PRO66
X	PHE69
X	ILE123
X	NDP208

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site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL X 209

Chain	Residue
X	LYS37
X	ARG75

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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
X	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
X	ALA12
X	GLY18
X	ARG59
X	THR81
X	GLY124

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

Chain	Residue	Details
X	GLU32
X	ARG75

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