Structure of PDB 3k45 Chain A

Receptor sequence
>3k45A (length=186) Species: 10090 (Mus musculus) [Search protein sequence]
VRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLV
IMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLI
EQPDLASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPE
IDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
3D structure
PDB3k45 Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.
ChainA
Resolution1.6 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 W24 E30 F31 F34 L67 M111 T136
Catalytic site (residue number reindexed from 1) L22 W24 E30 F31 F34 L67 M111 T136
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 R54 K55 T56 L75 S76 R77 K91 S92 V115 G117 S118 S119 V120 V8 A9 I16 G20 D21 L22 R54 K55 T56 L75 S76 R77 K91 S92 V115 G117 S118 S119 V120
BS02 51P A I7 V8 E30 F31 F34 V115 I7 V8 E30 F31 F34 V115 MOAD: ic50=3.9uM
BindingDB: IC50=3900nM
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003729 mRNA binding
GO:0004146 dihydrofolate reductase activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
GO:0051871 dihydrofolic acid binding
Biological Process
GO:0006729 tetrahydrobiopterin biosynthetic process
GO:0006730 one-carbon metabolic process
GO:0031103 axon regeneration
GO:0031427 response to methotrexate
GO:0035094 response to nicotine
GO:0035999 tetrahydrofolate interconversion
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:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k45, PDBe:3k45, PDBj:3k45
PDBsum3k45
PubMed19748785
UniProtP00375|DYR_MOUSE Dihydrofolate reductase (Gene Name=Dhfr)

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