The catalytic Mn2+ sites in the enolase-inhibitor complex: Crystallography, single-crystal EPR, and DFT calculations

Journal of the American Chemical Society

Volumn 129, Issue 14, 2007, Pages 4240-4252

  Carmieli, Raanan ^a   Larsen, Todd M ^b   Reed, George H ^b   Zein, Samir ^c   Neese, Frank ^c   Goldfarb, Daniella ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

^c UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPLEXATION; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ENZYME INHIBITION; PARAMAGNETIC RESONANCE; SINGLE CRYSTALS;

CATALYTIC METAL BINDING; ELECTRON NUCLEAR DOUBLE RESONANCE (ENDOR); OCTAHEDRAL SYMMETRY; ZERO FIELD SPLITTING (ZFS);

MANGANESE COMPOUNDS;

ENOLASE; ENZYME INHIBITOR; HYDROXAMIC ACID DERIVATIVE; LIGAND; MANGANESE; METAL ION; PHOSPHONIUM DERIVATIVE; ZINC;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ENZYME ACTIVE SITE; HYDROGEN BOND; LOW TEMPERATURE; METAL BINDING; MOLECULAR STABILITY; X RAY CRYSTALLOGRAPHY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; METABOLISM; NUCLEAR MAGNETIC RESONANCE; PROTEIN TERTIARY STRUCTURE;

BINDING SITES; CATALYTIC DOMAIN; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ENZYME INHIBITORS; MANGANESE; MODELS, MOLECULAR; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PHOSPHOPYRUVATE HYDRATASE; PROTEIN STRUCTURE, TERTIARY;

EID: 34247103245     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066124e     Document Type: Article

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