Structure of PDB 4a95 Chain C Binding Site BS03

Receptor Information

>4a95 Chain C (length=366) Species: 5855 (Plasmodium vivax)

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGV
EDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIE
NVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTAT
FKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYN
WKCASFAPAHVGIVLL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4a95 Chain C Residue 1412

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4a95 Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): L169 R170 K172 L174
• Binding residue (residue number reindexed from 1): L143 R144 K146 L148
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N161 F162 L163 T197 L410
• Catalytic site (residue number reindexed from 1): N135 F136 L137 T171 L366
• 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:4a95, PDBe:4a95, PDBj:4a95
• PDBsum: 4a95
• PubMed: 22439843
• UniProt: A5K1A2