5O8H

Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, 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	35984.9	4	UniProt (A0A1Q8I6M1)	Rhodococcus sp. M8
2	E, F, J, K, M... (A, B, C, D)	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
3	G, L, O, S (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
4	H, P (A, C)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	I (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	T, U, V, W (A, B, C, D)	water	water		18.0	1122	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 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	143939.5
Non-Polymers*	Number of molecules	15
	Total formula weight	3347.3
All*	Total formula weight	147286.8

*Water molecules are not included.