3WWO

S-selective hydroxynitrile lyase from Baliospermum montanum (apo1)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	(S)-hydroxynitrile lyase	polymer	288	32515.6	2	UniProt (D1MX73) Pfam (PF00561)	Baliospermum montanum
2	C, F (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, E, G, H (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
4	I, J (A, B)	water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, B: 1 - 263 (UniProt: D1MX73)

PDB	External Database	Details
Met -24	-	expression tag
Asn -23	-	expression tag
His -22	-	expression tag
Lys -21	-	expression tag
Val -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Ile -13	-	expression tag
Glu -12	-	expression tag
Gly -11	-	expression tag
Arg -10	-	expression tag
His -9	-	expression tag
Met -8	-	expression tag
Glu -7	-	expression tag
Leu -6	-	expression tag
Gly -5	-	expression tag
Thr -4	-	expression tag
Leu -3	-	expression tag
Glu -2	-	expression tag
Gly -1	-	expression tag
Phe 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65031.2
Non-Polymers*	Number of molecules	6
	Total formula weight	552.9
All*	Total formula weight	65584.1

*Water molecules are not included.