6C4C

Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with glyoxylate and pyruvate

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...)	Isocitrate lyase 1	polymer	442	48944.4	8	UniProt (H8EVV4) Pfam (PF00463) UniProt (by SIFTS) (P9WKK7)	Mycobacterium tuberculosis (strain ATCC 35801 / TMC 107 / Erdman)	ICL1,Isocitrase,Isocitratase,Methylisocitrate lyase,MICA
2	EA, I, R (H, A, D)	GLYOXYLIC ACID	non-polymer		74.0	3	Chemie (GLV)
3	BA, CA, DA, FA, GA... (G, H, A, B, C...)	MAGNESIUM ION	non-polymer		24.3	16	Chemie (MG)
4	AA, L, O, U, Y (G, B, C, E, F)	PYRUVIC ACID	non-polymer		88.1	5	Chemie (PYR)
5	X (E)	3-NITROPROPANOIC ACID	non-polymer		119.1	1	Chemie (3NP)
6	HA, IA, JA, KA, LA... (A, B, C, D, E...)	water	water		18.0	1597	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 428 (UniProt: H8EVV4)

PDB	External Database	Details
Met -13	-	initiating methionine
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	391555.2
Non-Polymers*	Number of molecules	25
	Total formula weight	1170.4
All*	Total formula weight	392725.6

*Water molecules are not included.