Conformational dynamics of threonine 195 and the S1 subsite in functional trypsin variants

Journal of Molecular Modeling

Volumn 18, Issue 11, 2012, Pages 4941-4954

  Gokey, Trevor ^a   Baird, Teaster T ^a   Guliaev, Anton B ^a  

^a SAN FRANCISCO STATE UNIVERSITY   (United States)

Author keywords

Catalytic triad; Conformational rearrangement; Molecular dynamics; S1 binding site; Trypsin variants

Indexed keywords

DISULFIDE; SERINE; THREONINE; THREONINE 195; TRYPSIN; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; DISULFIDE BOND; ENZYME ACTIVITY; MOLECULAR DYNAMICS; PRIORITY JOURNAL;

AMINO ACID SUBSTITUTION; BINDING SITES; CATALYSIS; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; TRYPSIN;

EID: 84870563552     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1541-x     Document Type: Article

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