4OUI

Structure of Vibrio cholerae chitin de-N-acetylase in complex with TRIACETYLCHITOTRIOSE (CTO)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Deacetylase DA1	polymer	419	46895.9	2	UniProt (M7M1G8) In PDB	Vibrio cholerae
2	C, D	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		627.6	2	In PDB BIRD (PRD_900017) GlyTouCan (G47362BJ)		triacetyl-beta-chitotriose
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
6		water	water		18.0	717	Chemie (HOH)

Sequence modifications

A, B: 27 - 431 (UniProt: M7M1G8)

PDB	External Database	Details
Met 26	-	expression tag
Ser 39	Asp 35	engineered mutation
Glu 432	-	expression tag
Leu 433	-	expression tag
Arg 434	-	expression tag
Arg 435	-	expression tag
Gln 436	-	expression tag
Trp 437	-	expression tag
Ser 438	-	expression tag
His 439	-	expression tag
Pro 440	-	expression tag
Gln 441	-	expression tag
Phe 442	-	expression tag
Glu 443	-	expression tag
Lys 444	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93791.8
Branched	Number of molecules	2
	Total formula weight	1255.2
Non-Polymers*	Number of molecules	9
	Total formula weight	489.8
All*	Total formula weight	95536.8

*Water molecules are not included.