Structure of PDB 3t70 Chain B

Receptor sequence

>3t70B (length=137) Species: 36329 (Plasmodium falciparum 3D7)

MHLKIVCLSDEVREMYKNHDSGLDLFIVKDEVLKPKSTTFVKLGIKAIAL
QYKSNYYYKCNIVNTSFLLFPRSSISKTPLRLANSIGLIDAGYRGEIIAA
LDNTSDQEYHIKKNDKLVQLVSFTGEPLSFELVEELD

3D structure

• PDB: 3t70 Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
• Chain: B
• Resolution: 1.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): S27 R91 S93 L99 D109
• Catalytic site (residue number reindexed from 1): S21 R72 S74 L80 D90
• 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	B	K96 T97 P98	K77 T78 P79
BS02	DU4	B	S92 K96	S73 K77	MOAD: Ki=0.5uM PDBbind-CN: -logKd/Ki=6.30,Ki=0.5uM
BS03	DU4	B	F46 N103 G106 I108 Y112 I117	F40 N84 G87 I89 Y93 I98	MOAD: Ki=0.5uM PDBbind-CN: -logKd/Ki=6.30,Ki=0.5uM

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

External links

• PDB: RCSB:3t70, PDBe:3t70, PDBj:3t70
• PDBsum: 3t70
• PubMed: 22049550
• UniProt: Q8II92