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	Secondary-alcohol dehydrogenase	polymer	352	37652.8	1	UniProt (P14941) Pfam (PF08240) Pfam (PF00107) UniProt (by SIFTS) (P77990) In PDB	Thermoanaerobacter pseudethanolicus
2	B, C, D	Secondary-alcohol dehydrogenase	polymer	352	37680.8	3	UniProt (P14941) Pfam (PF08240) Pfam (PF00107) UniProt (by SIFTS) (P77990) In PDB	Thermoanaerobacter pseudethanolicus
3	A, B, C, D	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	A, B, C, D	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	4	Chemie (NAP)
5	A, B, C, D	(2R)-pentan-2-ol	non-polymer		88.1	4	Chemie (2RP)
6	A, B, C, D	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
7		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.