Docking of 4-oxalocrotonate tautomerase substrates: Implications for the catalytic mechanism

Biopolymers

Volumn 50, Issue 3, 1999, Pages 319-328

  Soares, T A ^a,b   Goodsell, D S ^a   Briggs, J M ^c   Ferreira, R ^b,c   Olson, A J ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

^b FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

4 oxalocrotonate tautomerase; Catalytic mechanism; Molecular docking; pK(a) predictions

Indexed keywords

ALCOHOLS; CATALYSIS; CHARGE TRANSFER; CHEMICAL BONDS; COMPUTER SIMULATION; ORGANIC ACIDS;

KREBS CYCLE; MOLECULAR DOCKING; OXALOCROTONATE TAUTOMERASE;

ENZYMES;

2 HYDROXYMUCONATE; 4 OXALOCROTONATE TAUTOMERASE; 5 CARBOXYMETHYL 2 HYDROXYMUCONATE; CROTONIC ACID DERIVATIVE; DIENESTROL; MUCONIC ACID; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ARTICLE; CATALYSIS; CITRIC ACID CYCLE; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; PROTON TRANSPORT; SIMULATION;

ALDEHYDES; ALGORITHMS; BINDING SITES; CATALYSIS; DATABASES, FACTUAL; ISOMERASES; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PSEUDOMONAS PUTIDA; SORBIC ACID; SUBSTRATE SPECIFICITY;

EID: 0033197923     PISSN: 00063525     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-0282(199909)50:3<319::AID-BIP7>3.0.CO;2-8     Document Type: Article

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