5O9D

Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Alcohol dehydrogenase	polymer	352	35968.9	4	UniProt (A0A1Q8I6M1)	Rhodococcus sp. M8
2	E, F, I, J, M... (A, B, C, D)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	G, K, O, S (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
4	H, L, P, T (A, B, C, D)	(2~{S})-2-methylpentanedioic acid	non-polymer		146.1	4	Chemie (9ON)
5	U, V, W, X (A, B, C, D)	water	water		18.0	1208	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 345 (UniProt: A0A1Q8I6M1)

PDB	External Database	Details
Tyr 39	His 39	engineered mutation
His 43	Phe 43	engineered mutation
Phe 54	Tyr 54	engineered mutation
Phe 294	Tyr 294	engineered mutation
Ala 295	Trp 295	engineered mutation
Thr 346	-	expression tag
Ser 347	-	expression tag
His 348	-	expression tag
His 349	-	expression tag
His 350	-	expression tag
His 351	-	expression tag
His 352	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	143875.5
Non-Polymers*	Number of molecules	16
	Total formula weight	3761.5
All*	Total formula weight	147637.1

*Water molecules are not included.