6MB0

Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-1002

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Glycylpeptide N-tetradecanoyltransferase	polymer	405	47323.0	3	UniProt (A0A1G4HIY1) Pfam (PF01233) Pfam (PF02799)	Plasmodium vivax
2	D, I, M (A, B, C)	TETRADEC-13-YNOIC ACID - COA THIOESTER	non-polymer		973.9	3	Chemie (YNC)
3	E, J, N (A, B, C)	1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine	non-polymer		435.5	3	Chemie (JCY)
4	F, H (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	G, L, P (A, B, C)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
6	K, O (B, C)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7	Q, R, S (A, B, C)	water	water		18.0	1807	Chemie (HOH)

Sequence modifications

A, B, C: 27 - 410 (UniProt: A0A1G4HIY1)

PDB	External Database	Details
Met 6	-	expression tag
Gly 7	-	expression tag
Ser 8	-	expression tag
Ser 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
Ser 16	-	expression tag
Ala 17	-	expression tag
Ala 18	-	expression tag
Leu 19	-	expression tag
Glu 20	-	expression tag
Val 21	-	expression tag
Leu 22	-	expression tag
Phe 23	-	expression tag
Gln 24	-	expression tag
Gly 25	-	expression tag
Pro 26	-	expression tag
Glu 386	Gly 386	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	141969.0
Non-Polymers*	Number of molecules	13
	Total formula weight	4650.8
All*	Total formula weight	146619.8

*Water molecules are not included.