NMR studies and semi-empirical energy calculations for cyclic ADP-ribose

Authors
Rutherford, TJ Wilkie, J Vu, CQ Schnackerz, KD Jacobson, MK Gani, D
Citation
Tj. Rutherford et al., NMR studies and semi-empirical energy calculations for cyclic ADP-ribose, NUCLEOS NUC, 20(8), 2001, pp. 1485-1495
Citations number
25
Categorie Soggetti
Biochemistry & Biophysics
Journal title
NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS
ISSN journal
15257770 → ACNP
Volume
20
Issue
8
Year of publication
2001
Pages
1485 - 1495
Database
ISI
SICI code
1525-7770(2001)20:8<1485:NSASEC>2.0.ZU;2-M
Abstract
A possible pH-dependent conformational switch was investigated for cyclic A DP-ribose. NMR signals for the exchangeable protons were observed in H2O at low temperature, but there was no direct evidence for the protonation of N -3 at neutral pH that has previously been postulated. MNDO calculations ind icated that pH dependent P-31 chemical shift changes are attributable to pr otonation of the phosphate adjacent to the N-1 of adenine, and not due to t rans-annular hydrogen bonding with a protonated N-3.