3K2X

Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei in complex with 5'-iodo-cytosine

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	2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase	polymer	183	19487.1	3	UniProt (Q3JRA0) Pfam (PF02542) In PDB	Burkholderia pseudomallei	MECPS, MECDP-synthase
2	A, B, C	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	A, B, C	5'-deoxy-5'-iodocytidine	non-polymer		353.1	3	Chemie (I5A)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	POTASSIUM ION	non-polymer		39.1	1	Chemie (K)
6		water	water		18.0	253	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	8
	Total formula weight	1330.1
All*	Total formula weight	59791.4

*Water molecules are not included.