Structure of PDB 4ufv Chain C Binding Site BS04

Receptor Information

>4ufv Chain C (length=372) Species: 5855 (Plasmodium vivax)

MDYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYV
CDVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTW
HIGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLA
PVLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIG
FKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAH
WFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYN
VTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSL
KYYLYNWKCASFAPAHVGIVLL

Ligand information

• Ligand ID: GOA
• InChI: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
• InChIKey: AEMRFAOFKBGASW-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C(O)CO
  OpenEye OEToolkits 1.7.0: C(C(=O)O)O
  CACTVS 3.370: OCC(O)=O
• Formula: C2 H4 O3
• Name: GLYCOLIC ACID;
  HYDROXYACETIC ACID;
  HYDROXYETHANOIC ACID
• ChEMBL: CHEMBL252557
• DrugBank: DB03085
• ZINC: ZINC000004658557
• PDB chain: 4ufv Chain C Residue 1414

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ufv Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): E159 N161 L410
• Binding residue (residue number reindexed from 1): E134 N136 L372
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N161 F162 L163 T197 L410
• Catalytic site (residue number reindexed from 1): N136 F137 L138 T172 L372
• Enzyme Commision number: 2.3.1.97: glycylpeptide N-tetradecanoyltransferase.

Gene Ontology

Molecular Function

• GO:0004379 glycylpeptide N-tetradecanoyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006499 N-terminal protein myristoylation
• GO:0018008 N-terminal peptidyl-glycine N-myristoylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4ufv, PDBe:4ufv, PDBj:4ufv
• PDBsum: 4ufv
• PubMed: 26962430
• UniProt: A5K1A2