3GDN

Almond hydroxynitrile lyase in complex with benzaldehyde

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	R-oxynitrile lyase isoenzyme 1	polymer	521	56535.8	2	UniProt (Q945K2) Pfam (PF00732) Pfam (PF05199) In PDB	Prunus dulcis (sweet almond)
2	C	alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G62182OO)
3	D	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		570.5	1	In PDB GlyTouCan (G11971MR)
4	E	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		894.8	1	In PDB GlyTouCan (G17689EW)
5	F	alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G22573RC)
6	A, B	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
7	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
8	A, B	benzaldehyde	non-polymer		106.1	2	Chemie (HBX)
9	A, B	(2R)-hydroxy(phenyl)ethanenitrile	non-polymer		133.1	4	Chemie (MXN)
10		water	water		18.0	1269	Chemie (HOH)

Sequence modifications

A, B: 1 - 521 (UniProt: Q945K2)

PDB	External Database	Details
Ser 346	Ala 373	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	113071.6
Branched	Number of molecules	4
	Total formula weight	2800.6
Non-Polymers*	Number of molecules	10
	Total formula weight	2758.3
All*	Total formula weight	118630.5

*Water molecules are not included.