6NXG

Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a

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 (A5K1A2) Pfam (PF01233) Pfam (PF02799) In PDB	Plasmodium vivax (strain Salvador I)	PlviB.18219.a.FR2
2	A, B, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
3	A, B, C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	A	OXAMIC ACID	non-polymer		89.0	1	Chemie (OXM)
5	A, B	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one	non-polymer		423.9	2	Chemie (L7Y)
6	A, B, C	TETRADECANOYL-COA	non-polymer		977.9	3	Chemie (MYA)
7	A, B, C	BETA-MERCAPTOETHANOL	non-polymer		78.1	3	Chemie (BME)
8	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
9		water	water		18.0	1687	Chemie (HOH)

Sequence modifications

A, B, C: 27 - 410 (UniProt: A5K1A2)

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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	141752.8
Non-Polymers*	Number of molecules	16
	Total formula weight	4346.2
All*	Total formula weight	146099.1

*Water molecules are not included.