9HHS

Crystal Structure of the Coxiella burnetii R152Q Mutant 2-methylisocitrate lyase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-methylisocitrate lyase	polymer	312	34329.1	2	UniProt (Q83DG5) Pfam (PF13714)	Coxiella burnetii	2-MIC,MICL,(2R,3S)-2-methylisocitrate lyase
2	C (A)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
3	D, E, F, G, H (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
4	I (B)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	J, K (A, B)	water	water		18.0	257	Chemie (HOH)

Sequence modifications

A, B: 1 - 290 (UniProt: Q83DG5)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
Gln 152	Arg 152	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68658.2
Non-Polymers*	Number of molecules	7
	Total formula weight	537.9
All*	Total formula weight	69196.1

*Water molecules are not included.