3K14

Co-crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate

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)	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase	polymer	183	19487.1	3	UniProt (Q63T71) Pfam (PF02542) UniProt (by SIFTS) (Q3JRA0)	Burkholderia pseudomallei (Pseudomonas pseudomallei)	MECPS, MECDP-synthase
2	D, H, J (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E, I, K (A, B, C)	ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate	non-polymer		210.3	3	Chemie (535)
4	F (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	G (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
6	L (C)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
7	M, N, O (A, B, C)	water	water		18.0	305	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 162 (UniProt: Q63T71)

PDB	External Database	Details
Met -20	-	expression tag
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	58461.3
Non-Polymers*	Number of molecules	9
	Total formula weight	960.6
All*	Total formula weight	59421.9

*Water molecules are not included.