5COQ

The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility

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 (A, B, C, D)	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	289	30698.1	4	UniProt (M9TGV3) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1)	Mycobacterium tuberculosis
2	E, G, I, L (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, H, J, M (A, B, C, D)	5-HEXYL-2-(2-METHYLPHENOXY)PHENOL	non-polymer		284.4	4	Chemie (TCU)
4	K (C)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	N, O, P, Q (A, B, C, D)	water	water		18.0	328	Chemie (HOH)

Sequence modifications

A, B, C, D: 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 203	Val 203	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	122792.3
Non-Polymers*	Number of molecules	9
	Total formula weight	3814.3
All*	Total formula weight	126606.6

*Water molecules are not included.