Structure of PDB 4bbh Chain B Binding Site BS03

Receptor Information

>4bbh Chain B (length=384) Species: 5855 (Plasmodium vivax)

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGF
SSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFN
LYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDK
YSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVF
EDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL

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: 4bbh Chain B Residue 1412

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bbh Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase.
• Resolution: 1.63 Å
• Binding residue (original residue number in PDB): L169 K172 L174
• Binding residue (residue number reindexed from 1): L143 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 L384
• 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:4bbh, PDBe:4bbh, PDBj:4bbh
• PDBsum: 4bbh
• PubMed: 23170970
• UniProt: A5K1A2