3RRV

Crystal structure of an enoyl-CoA hydratase/isomerase from Mycobacterium paratuberculosis

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, D, E... (A, B, C, D, E...)	enoyl-CoA hydratase/isomerase	polymer	276	29552.7	6	UniProt (Q743A2) Pfam (PF00378)	Mycobacterium avium subsp. paratuberculosis
2	G, H, I, K, L... (A, B, C, D, E...)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
3	J, M (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	O (D)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	R, S, T, U, V... (A, B, C, D, E...)	water	water		18.0	449	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 2 - 254 (UniProt: Q743A2)

PDB	External Database	Details
Met -21	-	expression tag
Ala -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Gly -12	-	expression tag
Thr -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Ala -8	-	expression tag
Gln -7	-	expression tag
Thr -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	177316.1
Non-Polymers*	Number of molecules	11
	Total formula weight	453.6
All*	Total formula weight	177769.7

*Water molecules are not included.