6MSO

Crystal structure of mitochondrial fumarate hydratase from Leishmania major in a complex with inhibitor thiomalate

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	fumarate hydratase	polymer	585	64713.2	4	UniProt (Q4QAU9) Pfam (PF05681) Pfam (PF05683) In PDB	Leishmania major
2	D, A, B, C	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
3	A, B, C	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
4	C, D, A, B	PENTAETHYLENE GLYCOL	non-polymer		238.3	10	Chemie (1PE)
5	D, A, B, C	(2S)-2-sulfanylbutanedioic acid	non-polymer		150.2	4	Chemie (JYD)
6		water	water		18.0	867	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 549 (UniProt: Q4QAU9)

PDB	External Database	Details
Met -35	-	initiating methionine
Gly -34	-	expression tag
Ser -33	-	expression tag
Ser -32	-	expression tag
His -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
Ser -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Leu -22	-	expression tag
Val -21	-	expression tag
Pro -20	-	expression tag
Arg -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
Met -15	-	expression tag
Ala -14	-	expression tag
Ser -13	-	expression tag
Met -12	-	expression tag
Thr -11	-	expression tag
Gly -10	-	expression tag
Gly -9	-	expression tag
Gln -8	-	expression tag
Gln -7	-	expression tag
Met -6	-	expression tag
Gly -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	258852.8
Non-Polymers*	Number of molecules	26
	Total formula weight	5126.7
All*	Total formula weight	263979.5

*Water molecules are not included.