Structure of PDB 3arn Chain B

Receptor sequence
>3arnB (length=125) Species: 9606 (Homo sapiens) [Search protein sequence]
MQLRFARLSEHATAPTRGSARAAGYDLYSAYDYTIPPMEKAVVKTDIQIA
LPSGCYGRVAPRSGLAAKHFIDVGAGVIDEDYRGNVGVVLFNFGKEKFEV
KKGDRIAQLICERIFYPEIEEVQAL
3D structure
PDB3arn Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors
ChainB
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) A46 R85 G87 I94 D102
Catalytic site (residue number reindexed from 1) A23 R62 G64 I71 D79
Enzyme Commision number 3.6.1.23: dUTP diphosphatase.
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 MSJ B G99 V100 Y105 G110 V112 G76 V77 Y82 G87 V89 MOAD: ic50=3.9uM
BindingDB: IC50=9.48e+3nM
BS02 MSJ B S86 G87 A90 S63 G64 A67 MOAD: ic50=3.9uM
BindingDB: IC50=9.48e+3nM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004170 dUTP diphosphatase activity
Biological Process
GO:0006226 dUMP biosynthetic process
GO:0046081 dUTP catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3arn, PDBe:3arn, PDBj:3arn
PDBsum3arn
PubMed22339362
UniProtP33316|DUT_HUMAN Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (Gene Name=DUT)

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