Structure of PDB 4a95 Chain C

Receptor sequence

>4a95C (length=366) Species: 5855 (Plasmodium vivax)

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGV
EDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFNLYAVFTKEEIAHWFLPIE
NVIYTYVNEENGKIKDMISFYSLPSQILGNDKYSTLNAAYSFYNVTTTAT
FKQLMQDAILLAKRNNFDVFNALEVMQNKSVFEDLKFGEGDGSLKYYLYN
WKCASFAPAHVGIVLL

3D structure

• PDB: 4a95 Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.
• Chain: C
• Resolution: 1.55 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 L366
• 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	9MT	C	V96 E97 D98 F103 F105 Y211 H213 S319 L330 Y334 N365	V70 E71 D72 F77 F79 Y185 H187 S275 L286 Y290 N321	MOAD: Ki=1.73uM
BS02	NHW	C	Y28 F30 W31 Y95 V96 N161 L163 C164 V165 R170 S171 R173 A175 I179 T183 I186 W192 A194 Y196 T197 A198 L202 Y393	Y2 F4 W5 Y69 V70 N135 L137 C138 V139 R144 S145 R147 A149 I153 T157 I160 W166 A168 Y170 T171 A172 L176 Y349
BS03	MG	C	L169 R170 K172 L174	L143 R144 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:4a95, PDBe:4a95, PDBj:4a95
• PDBsum: 4a95
• PubMed: 22439843
• UniProt: A5K1A2