3WLL

Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with PEG400

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Beta-D-glucan exohydrolase isoenzyme ExoI	polymer	605	65475.6	1	UniProt (Q9XEI3) Pfam (PF00933) Pfam (PF01915)	Hordeum vulgare subsp. vulgare (barley two-rowed barley)
2	B (B)	beta-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 (G15407YE)
3	C (C)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-xylopyranose-(1-2)]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		1230.1	1	In PDB GlyTouCan (G66473DQ)
4	D (D)	beta-D-xylopyranose-(1-2)-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		864.8	1	In PDB GlyTouCan (G06206UV)
5	E, F (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
6	G, H (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7	I, J (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
8	K, L (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
9	M (A)	water	water		18.0	883	Chemie (HOH)

Sequence modifications

A: 1 - 605 (UniProt: Q9XEI3)

PDB	External Database	Details
Lys 320	Asn 345	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	65475.6
Branched	Number of molecules	3
	Total formula weight	2681.5
Non-Polymers*	Number of molecules	8
	Total formula weight	1025.2
All*	Total formula weight	69182.3

*Water molecules are not included.