Uracil-DNA glycosylase acts by substrate autocatalysis

Nature

Volumn 413, Issue 6857, 2001, Pages 752-755

  Dinner, Aaron R ^a,b   Blackburn, G Michael ^c   Karplus, Martin ^a,d,e  

^a UNIVERSITY OF OXFORD   (United Kingdom)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c UNIVERSITY OF SHEFFIELD   (United Kingdom)

^d HARVARD UNIVERSITY   (United States)

^e UNIVERSITÉ LOUIS PASTEUR   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; CELLS; ENZYMES; GENES; HYDROLYSIS;

REPLICATION FORKS;

DNA;

URACIL DNA GLYCOSYLTRANSFERASE;

DNA;

ARTICLE; CATALYSIS; CRYSTAL STRUCTURE; DNA REPLICATION; ENERGY; ENZYME ACTIVITY; ENZYME DEGRADATION; ENZYME STRUCTURE; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS;

CATALYSIS; DNA; DNA GLYCOSYLASES; HUMANS; MODELS, MOLECULAR; N-GLYCOSYL HYDROLASES; QUANTUM THEORY; SUBSTRATE SPECIFICITY; URACIL-DNA GLYCOSIDASE;

EID: 0035909316     PISSN: 00280836     EISSN: None     Source Type: Journal    
DOI: 10.1038/35099587     Document Type: Article

References (30)

1. Human DNA repair genes
2. DNA repair mechanisms for the recognition and removal of damaged DNA bases
3. Uracil-DNA glycosylase (UNG)-deficient mice reveal a primary role of the enzyme during DNA replication
4. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
5. The structural basis of specific base excision repair by uracil-DNA glycosylase
6. A nucleotide-flipping mechanism from the structure of human uracil-DNA glycosylase bound to DNA
7. Mutation of an active site residue in Escherichia coli uracil DNA glycosylase: Effect on DNA binding, uracil inhibition and catalysis
8. Heteronuclear NMR and crystallographic studies of wild-type and H187Q Escherichia coli uracil DNA glycosylase: Electrophilic catalysis of uracil expulsion by a neutral histidine 187
9. Role of electrophilic and general base catalysis in the mechanism of Escherichia coli uracil DNA glycosylase
10. a for uracil bound to uracil DNA glycosylase: Implications for catalysis
11. Uracil-DNA glycosylase-DNA substrate and product structures: Conformational strain promotes catalytic efficiency by coupled stereoelectronic effects
12. Kinetic isotope effect studies of the reaction catalyzed by uracil DNA glycosylase: Evidence for an oxocarbenium-ion anion intermediate
13. Identification of a new uracil-DNA glycosylase family by expression cloning using synthetic inhibitors
14. Structure and function in the uracil-DNA glycosylase superfamily
15. AM1: A new general purpose quantum mechanical molecular model
16. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
17. Continuum treatment of long-range interactions in free energy calculations. Application to protein-ligand binding
18. Properties of a recombinant human uracil-DNA glycosylase from the UNG gene and evidence that UNG encodes the major uracil-DNA glycosylase
19. Transition-state analysis for depurination of DNA by ricin A-chain
20. Computer simulation and analysis of the reaction pathway of triosephosphate isomerase
21. Escherichia coli uracil DNA glycosylase: NMR characterization o f the short hydrogen bond from His187 to uracil O2
22. Electrostatic stress in catalysis: Structure and mechanism of the enzyme orotodine monophosphate decarboxylase
23. Uncatalyzed hydrolysis of deoxyuridine, thymidine, and 5-bromodeouridine
24. pH-dependence of protein stability: Absolute electrostatic free energy differences between conformations
25. An all-atom empirical energy function for the simulation of nucleic acids
26. All-atom empirical potential for molecular modeling and dynamics studies of proteins
27. Comparison of simple potential functions for simulating liquid water
28. Frontier bonds in QM/MM methods: A comparison of different approaches
29. The C-H···O hydrogen bond: Structural implications and supramolecular design