5NSL

Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and hydroxytyrosol

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Beta-fructofuranosidase	polymer	665	72007.1	2	UniProt (J7HDY4) Pfam (PF00251) Pfam (PF08244) In PDB	Phaffia rhodozyma (Yeast)
2	C, D, G	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1559.4	3	In PDB GlyTouCan (G83161QT)
3	E, H	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
4	F	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1235.1	1	In PDB GlyTouCan (G92805XC)
5	B, A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	25	Chemie (NAG)
6	B, A	beta-D-fructofuranose	non-polymer		180.2	2	Chemie (FRU)
7	A, B	4-(2-hydroxyethyl)benzene-1,2-diol	non-polymer		154.2	39	Chemie (975)
8	A, B	1,2-ETHANEDIOL	non-polymer		62.1	42	Chemie (EDO)
9		water	water		18.0	1304	Chemie (HOH)

Sequence modifications

A, B: 1 - 665 (UniProt: J7HDY4)

PDB	External Database	Details
Val 2	Ile 2	conflict
Ala 80	Asp 80	engineered mutation
Ala 663	Ser 663	conflict
Tyr 665	Arg 665	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144014.3
Branched	Number of molecules	6
	Total formula weight	6762.1
Non-Polymers*	Number of molecules	108
	Total formula weight	14509.7
All*	Total formula weight	165286.1

*Water molecules are not included.