4G09

The crystal structure of the C366S mutant of HDH from Brucella suis in complex with a substituted benzyl ketone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histidinol dehydrogenase	polymer	438	47180.3	1	UniProt (Q8G2R2) Pfam (PF00815) In PDB	Brucella suis	HDH
2	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	A	(3S)-3-amino-1-[4-(benzyloxy)phenyl]-4-(1H-imidazol-4-yl)butan-2-one	non-polymer		335.4	1	Chemie (0VD)
6		water	water		18.0	236	Chemie (HOH)

Sequence modifications

A: 1 - 430 (UniProt: Q8G2R2)

PDB	External Database	Details
Ser 366	Cys 366	engineered mutation
Leu 431	-	expression tag
Glu 432	-	expression tag
His 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47180.3
Non-Polymers*	Number of molecules	5
	Total formula weight	636.4
All*	Total formula weight	47816.7

*Water molecules are not included.