3AS1

Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Chitinase A	polymer	584	63712.6	1	UniProt (Q9AMP1) Pfam (PF08329) Pfam (PF00704)	Vibrio harveyi
2	B, C (A)	1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium	non-polymer		348.4	2	Chemie (CTI)
3	D (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	E (A)	water	water		18.0	459	Chemie (HOH)

Sequence modifications

A: 22 - 597 (UniProt: Q9AMP1)

PDB	External Database	Details
Gly 275	Trp 275	engineered mutation
Arg 598	-	expression tag
Ser 599	-	expression tag
His 600	-	expression tag
His 601	-	expression tag
His 602	-	expression tag
His 603	-	expression tag
His 604	-	expression tag
His 605	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63712.6
Non-Polymers*	Number of molecules	3
	Total formula weight	788.8
All*	Total formula weight	64501.5

*Water molecules are not included.