Structure of PDB 6qdf Chain A

Receptor sequence

>6qdfA (length=411) Species: 5664 (Leishmania major)

AHAFWSTQPVPQTEDETEKIVFAGPMDEPKTVADIPEEPYPIASTFEWWT
PNMEAADDIHAIYELLRDNYVEDDDSMFRFNYSEEFLQWALCPPNYIPDW
HVAVRRKADKKLLAFIAGVPVTLRMGTPKYMKVKAQEKGEGEEAAKYDEP
RHICEINFLCVHKQLREKRLAPILIKEATRRVNRTNVWQAVYTAGVLLPT
PYASGQYFHRSLNPEKLVEIRFSGIPAQYQKFQNPMAMLKRNYQLPSAPK
NSGLREMKPSDVPQVRRILMNYLDSFDVGPVFSDAEISHYLLPRDGVVFT
YVVENDKKVTDFFSFYRIPSTVIGNSNYNLLNAAYVHYYAATSIPLHQLI
LDLLIVAHSRGFDVCNMVEILDNRSFVEQLKFGAGDGHLRYYFYNWAYPK
IKPSQVALVML

3D structure

• PDB: 6qdf Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
• Chain: A
• Resolution: 1.49 Å

Enzymatic activity

• 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	MYA	A	H12 A13 F14 W15 Y80 V81 I166 L169 C170 V171 R176 E177 R179 A181 T189 V192 A200 Y202 T203 L208 Y404	H2 A3 F4 W5 Y70 V71 I156 L159 C160 V161 R166 E167 R169 A171 T179 V182 A190 Y192 T193 L198 Y394
BS02	MG	A	L175 K178 L180	L165 K168 L170
BS03	HWN	A	F90 G205 Y217 H219 F232 Y345 M420 L421	F80 G195 Y207 H209 F222 Y335 M410 L411	MOAD: ic50=1.2uM

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6qdf, PDBe:6qdf, PDBj:6qdf
• PDBsum: 6qdf
• PubMed: 32575985
• UniProt: Q4Q5S8