1X39

Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	beta-D-glucan exohydrolase isoenzyme ExoI	polymer	602	65054.1	1	GenBank (4566505) Pfam (PF00933) Pfam (PF01915) UniProt (by SIFTS) (Q9XEI3) In PDB	Hordeum vulgare	beta-D-glucan glucohydrolase isoenzyme exo1
2	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	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	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	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	A	(5R,6R,7S,8S)-3-(ANILINOMETHYL)-5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL	non-polymer		305.3	1	Chemie (IDE)
7	A	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8		water	water		18.0	874	Chemie (HOH)

Sequence modifications

A: 1 - 602 (GenBank: 4566505)

PDB	External Database	Details
Lys 320	Asn 345	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	65054.1
Branched	Number of molecules	3
	Total formula weight	2681.5
Non-Polymers*	Number of molecules	6
	Total formula weight	773.7
All*	Total formula weight	68509.3

*Water molecules are not included.