Structure of PDB 4cae Chain B

Receptor sequence

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

DYKFWYTQPVPKINDEFNESVNEPFISDNKVEDVRKDEYKLPPGYSWYVC
DVKDEKDRSEIYTLLTDNYVEDDDNIFRFNYSAEFLLWALTSPNYLKTWH
IGVKYDASNKLIGFISAIPTDICIHKRTIKMAEVNFLCVHKTLRSKRLAP
VLIKEITRRINLENIWQAIYTAGVYLPKPVSDARYYHRSINVKKLIEIGF
SSLNSRLTMSRAIKLYRVEDTLNIKNMRLMKKKDVEGVHKLLGSYLEQFN
LYAVFTKEEIAHWFLPIENVIYTYVNEENGKIKDMISFYSLPSQILGNDK
YSTLNAAYSFYNVTTTATFKQLMQDAILLAKRNNFDVFNALEVMQNKSVF
EDLKFGEGDGSLKYYLYNWKCASFAPAHVGIVLL

3D structure

PDB

4cae Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp).

Chain

Resolution

1.46 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	MG	B	L169 S171 K172 L174	L143 S145 K146 L148
BS02	3F3	B	V96 E97 F103 F105 Y107 Y211 Y315 S319 Y334 S335 N365 A366 L367 L388 L409 L410	V70 E71 F77 F79 Y81 Y185 Y289 S293 Y308 S309 N339 A340 L341 L362 L383 L384	MOAD: Ki=18nM
BS03	NHW	B	Y28 F30 W31 Y95 V96 N161 L163 C164 V165 R170 S171 R173 A175 P176 T183 I186 W192 Q193 A194 Y196 T197 A198 L202 Y393	Y2 F4 W5 Y69 V70 N135 L137 C138 V139 R144 S145 R147 A149 P150 T157 I160 W166 Q167 A168 Y170 T171 A172 L176 Y367

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

View graph for
Cellular Component

External links

PDB	RCSB:4cae, PDBe:4cae, PDBj:4cae
PDBsum	4cae
PubMed	24641010
UniProt	A5K1A2

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