6Y1C

X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	R-specific alcohol dehydrogenase	polymer	262	27906.5	2	UniProt (Q84EX5) Pfam (PF13561)	Lactobacillus brevis
2	C, I, J, K (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	4	Chemie (PEG)
3	D (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
4	E, F, L, M, O... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	G (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	H (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	N (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8	R, S (A, B)	water	water		18.0	589	Chemie (HOH)

Sequence modifications

A, B: 1 - 251 (UniProt: Q84EX5)

PDB	External Database	Details
Met -10	-	initiating methionine
Gly -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Phe 54	Asp 55	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55812.9
Non-Polymers*	Number of molecules	15
	Total formula weight	1263.1
All*	Total formula weight	57076.0

*Water molecules are not included.