5CPB

The effect of isoleucine to alanine mutation on InhA enzyme crystallization pattern and inhibition by ligand PT70 (TCU)

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...)	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	289	30684.1	6	UniProt (M9TGV3) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1)	Mycobacterium tuberculosis
2	G, H, I, J, K... (A, B, C, D, E...)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	6	Chemie (NAD)
3	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	535	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 269 (UniProt: M9TGV3)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -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
Ala 215	Ile 215	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	184104.3
Non-Polymers*	Number of molecules	6
	Total formula weight	3980.5
All*	Total formula weight	188084.9

*Water molecules are not included.