Is There a Weak H-bond → LBHB Transition on Tetrahedral Complex Formation in Serine Proteases?

Proteins: Structure, Function and Genetics

Volumn 54, Issue 3, 2004, Pages 468-477

  Shokhen, Michael ^a   Albeck, Amnon ^a  

^a BAR ILAN UNIVERSITY   (Israel)

Author keywords

Enzyme mechanism; Hydrogen bonds; Quantum mechanical calculations

Indexed keywords

ASPARTIC ACID; CHYMOTRYPSIN; ENZYME INHIBITOR; FLUOROFORM; HISTIDINE; KETONE; PROTON; SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR; SOLVENT; TRIFLUOROMETHYLKETONE; UNCLASSIFIED DRUG; WATER;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; COMPLEX FORMATION; COMPUTER SIMULATION; ENZYME ACTIVE SITE; ENZYME INHIBITOR COMPLEX; ENZYME MECHANISM; HYDROGEN BOND; HYDROLYSIS; LOW BARRIER HYDROGEN BOND; MOLECULAR MODEL; PRIORITY JOURNAL; PROTEIN QUATERNARY STRUCTURE; PROTON TRANSPORT; QUANTUM MECHANICS; QUANTUM THEORY; SELF CONSISTENT REACTION FIELD; SOLVATION; WEAK HYDROGEN BOND;

CHYMOTRYPSIN; COMPUTER SIMULATION; HYDROGEN BONDING; HYDROLYSIS; KETONES; MODELS, MOLECULAR; PROTEIN STRUCTURE, QUATERNARY; PROTONS; QUANTUM THEORY; SERINE ENDOPEPTIDASES; SERINE PROTEINASE INHIBITORS; SOLVENTS; WATER;

EID: 1042268087     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.10610     Document Type: Article

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