7VB6

Crystal structure of hydroxynitrile lyase from Linum usitatissium complexed with (R)-2-hydroxy-2-methylbutanenitrile

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)	Aliphatic (R)-hydroxynitrile lyase	polymer	443	48167.2	4	UniProt (P93243) Pfam (PF08240) Pfam (PF00107)	Linum usitatissimum (flax)	LuHNL
2	CA, E, HA, S (C, A, D, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	DA, EA, F, G, IA... (C, A, D, B)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
4	FA, H, KA, V (C, A, D, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	GA, I, LA, W (C, A, D, B)	(2R)-2-methyl-2-oxidanyl-butanenitrile	non-polymer		99.1	4	Chemie (5Z9)
6	J, K, L, M, MA... (A, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
7	AA, BA, O, Z (B, A)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
8	NA, P, Q, R (D, A)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	4	Chemie (BTB)
9	OA, PA, QA, RA (A, B, C, D)	water	water		18.0	1422	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 422 (UniProt: P93243)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Thr 117	Val 117	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	192668.8
Non-Polymers*	Number of molecules	36
	Total formula weight	5372.6
All*	Total formula weight	198041.4

*Water molecules are not included.