5Y0V

Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with berberine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Beta-hexosaminidase	polymer	578	66382.7	1	UniProt (Q06GJ0) Pfam (PF14845) Pfam (PF00728) In PDB	Ostrinia furnacalis (Asian corn borer)
2	B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	A	BERBERINE	non-polymer		336.4	1	Chemie (BER)
4	A	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5		water	water		18.0	230	Chemie (HOH)

Sequence modifications

A: 23 - 594 (UniProt: Q06GJ0)

PDB	External Database	Details
Asp 243	Phe 243	engineered mutation
Phe 570	Leu 570	engineered mutation
His 595	-	expression tag
His 596	-	expression tag
His 597	-	expression tag
His 598	-	expression tag
His 599	-	expression tag
His 600	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66382.7
Branched	Number of molecules	1
	Total formula weight	424.4
Non-Polymers*	Number of molecules	2
	Total formula weight	557.6
All*	Total formula weight	67364.7

*Water molecules are not included.