3ARU

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

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	3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE	non-polymer		278.3	3	Chemie (PNX)
3		water	water		18.0	631	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	834.9
All*	Total formula weight	64547.5

*Water molecules are not included.