3Q8H

Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028

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)	Burkholderia pseudomallei (Pseudomonas pseudomallei)	MECDP-synthase, MECPS
2	D, J, L (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E, I, K (A, B)	5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine	non-polymer		392.4	3	Chemie (AO9)
4	F (A)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
5	G, H (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6	M, N, O (A, B, C)	water	water		18.0	306	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	1536.6
All*	Total formula weight	59998.0

*Water molecules are not included.