Structure of PDB 4bbh Chain A

Receptor sequence

>4bbhA (length=384) Species: 5855 (Plasmodium vivax)

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGF
SSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFN
LYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDK
YSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVF
EDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL

3D structure

• PDB: 4bbh Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase.
• Chain: A
• Resolution: 1.63 Å

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.

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	NHW	A	Y28 F30 W31 Y95 V96 V160 L163 V165 R170 S171 R173 A175 P176 T183 I186 W192 Q193 A194 Y196 T197 A198 L202 Y393	Y2 F4 W5 Y69 V70 V134 L137 V139 R144 S145 R147 A149 P150 T157 I160 W166 Q167 A168 Y170 T171 A172 L176 Y367
BS02	YBN	A	F105 Y211 H213 Y315 Y334 S335 N365 A366 L367 L388 V408 L409 L410	F79 Y185 H187 Y289 Y308 S309 N339 A340 L341 L362 V382 L383 L384	MOAD: Ki=0.08uM PDBbind-CN: -logKd/Ki=7.10,Ki=0.08uM
BS03	MG	A	K172 L174	K146 L148

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