5V0X

Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor IMP-0001114

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	Glycylpeptide N-tetradecanoyltransferase	polymer	405	47250.9	3	UniProt (A0A1G4HIY1) Pfam (PF01233) Pfam (PF02799) UniProt (by SIFTS) (A5K1A2) In PDB	Plasmodium vivax
2	A, B, C	TETRADECANOYL-COA	non-polymer		977.9	3	Chemie (MYA)
3	A, B, C	{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1H-pyrazol-3-yl}(morpholin-4-yl)methanone	non-polymer		507.6	3	Chemie (8RD)
4	A, B, C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	C, A, B	SULFATE ION	non-polymer		96.1	17	Chemie (SO4)
6		water	water		18.0	991	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 6	-	initiating methionine
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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	141752.8
Non-Polymers*	Number of molecules	26
	Total formula weight	6195.8
All*	Total formula weight	147948.6

*Water molecules are not included.