7VB5

Crystal structure of hydroxynitrile lyase from Linum usitatissimum complexed with acetone cyanohydrin

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	BB, E, TA, W (D, A, C, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	CB, DB, F, G, UA... (D, A, C, B)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
4	H, WA, Z (A, C, B)	2-HYDROXY-2-METHYLPROPANENITRILE	non-polymer		85.1	3	Chemie (CNH)
5	AA, EB, I, XA (B, D, A, C)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	AB, BA, CA, DA, EA... (C, B, D, A)	1,2-ETHANEDIOL	non-polymer		62.1	28	Chemie (EDO)
7	R, RA, S, T, U (A, B)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
8	SA, V (B, A)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
9	GB (D)	ACETONE	non-polymer		58.1	1	Chemie (ACN)
10	HB, IB, JB, KB (A, B, C, D)	water	water		18.0	1137	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	55
	Total formula weight	6204.4
All*	Total formula weight	198873.2

*Water molecules are not included.