Structure of PDB 3t6y Chain A

Receptor sequence
>3t6yA (length=150) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence]
MHLKIVCLSDEVREMYKNHKGDSGLDLFIVKDEVLKPKSTTFVKLGIKAI
ALQYKSNYYYKSNIVNTSFLLFPRSSISKTPLRLANSIGLIDAGYRGEII
AALDNTSDQEYHIKKNDKLVQLVSFTGEPLSFELVEELDETSRGEGGFGS
3D structure
PDB3t6y Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
ChainA
Resolution2.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S27 R91 S93 L99 D109
Catalytic site (residue number reindexed from 1) S23 R74 S76 L82 D92
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 peptide A K42 T44 D121 K38 T40 D104
BS02 DU2 A F46 N103 G106 I108 Y112 I116 I117 F42 N86 G89 I91 Y95 I99 I100 PDBbind-CN: -logKd/Ki=5.52,Ki=3.0uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004170 dUTP diphosphatase activity
GO:0016787 hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006226 dUMP biosynthetic process
GO:0006260 DNA replication
GO:0006399 tRNA metabolic process
GO:0009117 nucleotide metabolic process
GO:0046081 dUTP catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3t6y, PDBe:3t6y, PDBj:3t6y
PDBsum3t6y
PubMed22049550
UniProtQ8II92

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