7UUT

Ternary complex crystal structure of secondary alcohol dehydrogenases from the Thermoanaerobacter ethanolicus mutants C295A and I86A provides better understanding of catalytic mechanism

Replaces:  7JNU

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Secondary-alcohol dehydrogenase	polymer	352	37652.8	1	UniProt (P14941)	Thermoanaerobacter pseudethanolicus
2	B, C, D (B, C, D)	Secondary-alcohol dehydrogenase	polymer	352	37680.8	3	UniProt (P14941)	Thermoanaerobacter pseudethanolicus
3	E, I, M, Q (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	F, J, N, R (A, B, C, D)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
5	G, K, O, S (A, B, C, D)	(2R)-pentan-2-ol	non-polymer		88.1	4	Chemie (2RP)
6	H, L, P, T (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
7	U, V, W, X (A, B, C, D)	water	water		18.0	358	Chemie (HOH)

Sequence modifications

A: 1 - 352 (UniProt: P14941)

PDB	External Database	Details
Ala 86	Ile 86	engineered mutation

B, C, D: 1 - 352 (UniProt: P14941)

PDB	External Database	Details
Ala 86	Ile 86	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	150695.2
Non-Polymers*	Number of molecules	16
	Total formula weight	3744.2
All*	Total formula weight	154439.4

*Water molecules are not included.