3MQD

Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Beta-ketoacyl synthase	polymer	428	45643.3	1	UniProt (Q2YQQ9) Pfam (PF00109) Pfam (PF02801)	Brucella melitensis biovar Abortus
2	B, C (A)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
3	D (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	E (A)	(5-thiophen-2-ylisoxazol-3-yl)methanol	non-polymer		181.2	1	Chemie (3MQ)
5	F (A)	water	water		18.0	454	Chemie (HOH)

Sequence modifications

A: 1 - 407 (UniProt: Q2YQQ9)

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	1
	Total formula weight	45643.3
Non-Polymers*	Number of molecules	4
	Total formula weight	262.6
All*	Total formula weight	45905.9

*Water molecules are not included.