Structure of PDB 4a95 Chain B

Receptor sequence

>4a95B (length=384) Species: 5855 (Plasmodium vivax) [Search protein sequence]

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGF
SSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFN
LYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDK
YSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVF
EDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL

3D structure

PDB

4a95 Discovery of Plasmodium Vivax N-Myristoyltransferase Inhibitors: Screening, Synthesis, and Structural Characterization of Their Binding Mode.

Chain

Resolution

1.55 Å

3D
structure

Catalytic site residues are labeled in the structure
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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	9MT	B	V96 E97 D98 F103 F105 Y211 H213 F226 S319 Y334 N365	V70 E71 D72 F77 F79 Y185 H187 F200 S293 Y308 N339	MOAD: Ki=1.73uM
BS02	NHW	B	Y28 F30 W31 Y95 V96 N161 L163 C164 V165 R170 S171 R173 L174 A175 P176 I179 T183 I186 W192 Q193 A194 Y196 T197 A198 L202 Y393	Y2 F4 W5 Y69 V70 N135 L137 C138 V139 R144 S145 R147 L148 A149 P150 I153 T157 I160 W166 Q167 A168 Y170 T171 A172 L176 Y367
BS03	MG	B	L169 K172 L174	L143 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

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:4a95, PDBe:4a95, PDBj:4a95
PDBsum	4a95
PubMed	22439843
UniProt	A5K1A2

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