3QHD

Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955

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 (Q3JRA0) Pfam (PF02542)	Burkholderia pseudomallei	MECDP-synthase, MECPS
2	D, J, L (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	F, K, M (A, B, C)	4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE	non-polymer		243.2	3	Chemie (CTN)
5	G (A)	4-(1H-IMIDAZOL-1-YL)PHENOL	non-polymer		160.2	1	Chemie (MSR)
6	H (A)	2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde	non-polymer		190.2	1	Chemie (795)
7	I (B)	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
8	N, O, P (A, B, C)	water	water		18.0	383	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 162 (UniProt: Q3JRA0)

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	10
	Total formula weight	1350.8
All*	Total formula weight	59812.2

*Water molecules are not included.