Structure of PDB 3nxx Chain A

Receptor sequence

>3nxxA (length=186) Species: 9606 (Homo sapiens) [Search protein sequence]

VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLV
IMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLT
EQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPE
IDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND

3D structure

PDB

3nxx Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.

Chain

Resolution

1.35 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	L22 E30
Catalytic site (residue number reindexed from 1)	L22 E30
Enzyme Commision number	1.5.1.3: dihydrofolate reductase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NDP	A	V8 A9 I16 G20 D21 L22 G53 K54 K55 T56 S59 L75 S76 R77 E78 R91 V115 G117 S118 S119 V120 T146	V8 A9 I16 G20 D21 L22 G53 K54 K55 T56 S59 L75 S76 R77 E78 R91 V115 G117 S118 S119 V120 T146
BS02	D2D	A	I7 V8 A9 L22 E30 F31 F34 S59 L67	I7 V8 A9 L22 E30 F31 F34 S59 L67	MOAD: Ki=11uM
BS03	D2D	A	I7 V8 A9 L22 E30 F34 T56 S59 V115	I7 V8 A9 L22 E30 F34 T56 S59 V115	MOAD: Ki=11uM

Gene Ontology

	Molecular Function
GO:0000900	mRNA regulatory element binding translation repressor activity
GO:0003723	RNA binding
GO:0003729	mRNA binding
GO:0004146	dihydrofolate reductase activity
GO:0005542	folic acid binding
GO:0016491	oxidoreductase activity
GO:0050661	NADP binding
GO:0070402	NADPH binding
GO:1990825	sequence-specific mRNA binding

	Biological Process
GO:0006729	tetrahydrobiopterin biosynthetic process
GO:0006730	one-carbon metabolic process
GO:0017148	negative regulation of translation
GO:0031103	axon regeneration
GO:0031427	response to methotrexate
GO:0046452	dihydrofolate metabolic process
GO:0046653	tetrahydrofolate metabolic process
GO:0046654	tetrahydrofolate biosynthetic process
GO:0046655	folic acid metabolic process
GO:0051000	positive regulation of nitric-oxide synthase activity
GO:2000121	regulation of removal of superoxide radicals

	Cellular Component
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol

View graph for
Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:3nxx, PDBe:3nxx, PDBj:3nxx
PDBsum	3nxx
PubMed	21123866
UniProt	P00374\|DYR_HUMAN Dihydrofolate reductase (Gene Name=DHFR)

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