Literature summary for 1.1.1.431 extracted from

Xia, X.L.; Cong, S.; Weng, X.R.; Chen, J.H.; Wang, J.F.; Chou, K.C.
Molecular simulation to investigate the cofactor specificity for Pichia stipitis xylose reductase (2013), Med. Chem., 9, 985-992 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
construction of a 3D structural model. The favourable binding modes for both cofactors NAD(H) and NADP(H) are obtained. The cofactor binding site is composed of a hydrophilic pocket, a hydrophobic pocket as well as a linker channel between the aforementioned two pockets. The hydrophilic pocket could recognize the nicotinamide moiety of the cofactors by hydrogen bonding networks, while the hydrophobic pocket functions to position the adenine moiety of the cofactors by hydrophobic and pi-pi stacking interactions. The linker channel contains some key residues for ligand-binding, their mutation could have impact to the catalytic specificity	Scheffersomyces stipitis

Crystallization (Comment)

Organism

construction of a 3D structural model. The favourable binding modes for both cofactors NAD(H) and NADP(H) are obtained. The cofactor binding site is composed of a hydrophilic pocket, a hydrophobic pocket as well as a linker channel between the aforementioned two pockets. The hydrophilic pocket could recognize the nicotinamide moiety of the cofactors by hydrogen bonding networks, while the hydrophobic pocket functions to position the adenine moiety of the cofactors by hydrophobic and pi-pi stacking interactions. The linker channel contains some key residues for ligand-binding, their mutation could have impact to the catalytic specificity

Scheffersomyces stipitis

Protein Variants

Protein Variants	Comment	Organism
K21A	mutation reverses the cofactor specificity from major NADP- to NAD-dependent	Scheffersomyces stipitis
K270N	mutation reverses the cofactor specificity from major NADP- to NAD-dependent	Scheffersomyces stipitis

Organism

Organism	UniProt	Comment	Textmining
Scheffersomyces stipitis	-	-	-

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Release 2023.1 (January 2023)