6C4A

Crystal structure of 3-nitropropionate modified isocitrate lyase from Mycobacterium tuberculosis with 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	AA, FA, I, KA, N... (E, F, A, G, B...)	PYRUVIC ACID	non-polymer		88.1	8	Chemie (PYR)
3	BA, CA, GA, HA, IA... (E, F, A, B, G...)	MAGNESIUM ION	non-polymer		24.3	21	Chemie (MG)
4	M, V (B, C)	3-NITROPROPANOIC ACID	non-polymer		119.1	2	Chemie (3NP)
5	DA, JA, OA, Q, U... (E, F, G, B, C...)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
6	EA, MA (F, G)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	2	Chemie (EPE)
7	AB, BB, CB, DB, WA... (E, F, G, H, A...)	water	water		18.0	2721	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	40
	Total formula weight	2672.5
All*	Total formula weight	394227.7

*Water molecules are not included.