3AS2

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Chitinase A	polymer	584	63712.6	1	UniProt (Q9AMP1) Pfam (PF08329) Pfam (PF00704) In PDB	Vibrio harveyi
2	A	3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione	non-polymer		306.4	3	Chemie (POY)
3		water	water		18.0	588	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	919.1
All*	Total formula weight	64631.7

*Water molecules are not included.