Quantum chemical modeling of Co-C bond activation in B12-dependent enzymes

Current Opinion in Chemical Biology

Volumn 5, Issue 6, 2001, Pages 736-743

  Kozlowski, Pawel M ^a  

^a UNIVERSITY OF LOUISVILLE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; COBALAMIN; COBALT; COBAMAMIDE; MECOBALAMIN;

CALCULATION; CHEMICAL BOND; ELECTROCHEMISTRY; ENZYME ACTIVE SITE; ENZYME ANALYSIS; MODEL; QUANTUM CHEMISTRY; REVIEW; SPECTROSCOPY;

EID: 0035655895     PISSN: 13675931     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1367-5931(01)00273-3     Document Type: Review

References (47)

1. The two B-12 cofactors: Involvement of the cobalt center in homolytic and heterolytic processes
2. The Yin-Yang of cobalamin biochemistry
3. 12-dependent enzymes
4. 12-dependent enzymes
5. 12-based chemical precedent for Co-C bond homolysis and other key elementary steps
6. Thermolysis of the Co-C bond in adenosylcobalamin. 2. Products, kinetics, and Co-C bond dissociation energy in aqueous solution
7. Thermolysis of the Co-C bond in adenosylcorrins. 3. Quantification of the axial base effect in adenosylcobalamin by the synthesis and thermolysis of axial base-free adenosylcobinamide. Insights into the energetics of enzyme-assisted cobalt-carbon bond homolysis
8. 12-dependent enzymes function as 'ultimate radical cages' and 'ultimate radical traps'
9. association, DH, and DS measurements plus a critical review of the relevant biochemical literature
10. 12-dependent methylmalonyl-CoA mutase
11. 12 chemistry and its use to probe a steric-based, ground state corrin butterfly conformation effect
12. 12
13. 12: Theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement
14. 12-dependent methylmalonyl-CoA mutase: Partial proton transfer in action
15. Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept
16. 12-dependent diol dehydratase
17. 12-dependent carbon-skeleton rearrangement
18. 12-catalyzed reactions
19. 12
20. 12 Co-C bond homolysis: Insight from qualitative molecular orbital theory
21. 12. Activation of the cobalt-carbon bond by angular distortions
22. 12 and related systems Part II: A corrin model system
23. 12 coenzyme
24. 12-dependent enzymes from density functional theory
25. Density functional theory analysis of stereoelectronic properties of cobalamins
26. 12 models
27. Theoretical determination of the Co-C bond energy dissociation in cobalamins
28. Structural and electronic properties of Co-corrole, Co-corrin, and Co-porphyrin
29. A density functional study on the effect of the trans axial ligand of cobalamin on the homolytic cleavage of the Co-C bond
30. 12-dependent enzymes
31. 12 analog
32. Methods and applications of combined quantum mechanical and molecular mechanical potentials
33. 12 radicals are generated: The crystal structure of methylmalonyl-coenzyme A mutase at 2 Å resolution
34. Conformational changes on substrate binding to methylmalonyl CoA mutase and new insights into the free radical mechanisms
35. Crystal structure of substrate complexes of methylmalonyl-CoA mutase
36. 12-binding subunit of glutamate mutase from Clostridium tetanomorphum
37. 12-dependent enzyme provides new mechanistic insights
38. 12 binding and the direct participation of a potassium ion in enzyme catalysis: X-ray structure of diol dehydratase
39. 12: X-ray structure of a diol-dehydratase-adeninylpentylcobalamin complex
40. 12-dependent enzymes: Cryogenic resonance Raman studies of methylmalonyl-coenzyme A mutase
41. DFT-SQM force field for cobalt corrinoids
42. Cobalamin-dependent methyltransferases
43. Evidence that cobalt-carbon bond homolysis is coupled to hydrogen atom abstraction from substrate in methylmalonyl-CoA mutase
44. Coupling of cobalt-carbon bond homolysis and hydrogen atom abstraction in adenosylcobalamin-dependent glutamate mutase
45. Evidence for quantum mechanical tunneling in the coupled cobalt-carbon bond homolysis-substrate radical generation reaction catalyzed by mathylmalonyl-CoA mutase