1GXS

Crystal Structure of Hydroxynitrile Lyase from Sorghum bicolor in Complex with Inhibitor Benzoic Acid: a novel cyanogenic enzyme

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN A	polymer	270	30395.6	2	UniProt (Q8W4X3) UniProt (by SIFTS) (P52708)	SORGHUM BICOLOR (SORGHUM)	HNL, HYDROXYNITRILE LYASE
2	B, D (B, D)	P-(S)-HYDROXYMANDELONITRILE LYASE CHAIN B	polymer	158	17713.1	2	UniProt (Q8W4X3) UniProt (by SIFTS) (P52708)	SORGHUM BICOLOR (SORGHUM)	HNL, HYDROXYNITRILE LYASE
3	E, F (E, F)	beta-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	2	In PDB GlyTouCan (G46874CY)
4	G, J (A, C)	BENZOIC ACID	non-polymer		122.1	2	Chemie (BEZ)
5	H, K (A, C)	DECANOIC ACID	non-polymer		172.3	2	Chemie (DKA)
6	I, L (B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
7	M, N, O, P (A, B, C, D)	water	water		18.0	331	Chemie (HOH)

Sequence modifications

A, C: 1 - 270 (UniProt: Q8W4X3)

PDB	External Database	Details
Leu 11	Pro 66	variant
Ala 79	Pro 134	variant
Gly 112	Val 167	variant
Ser 203	Leu 258	variant

B, D: 283 - 440 (UniProt: Q8W4X3)

PDB	External Database	Details
Thr 408	Ser 463	variant
Val 409	Pro 464	variant
Arg 410	Ser 465	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	96217.3
Branched	Number of molecules	2
	Total formula weight	1141.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1031.2
All*	Total formula weight	98389.6

*Water molecules are not included.