 |
PDBsum entry 1k5e
|
|
|
|
References listed in PDB file
|
 |
|
Key reference
|
|
|
Title
|
|
The nonmutagenic (r)- And (s)-Beta-(N(6)-Adenyl)styrene oxide adducts are oriented in the major groove and show little perturbation to DNA structure.
|
|
|
Authors
|
|
C.Hennard,
J.Finneman,
C.M.Harris,
T.M.Harris,
M.P.Stone.
|
|
|
Ref.
|
|
Biochemistry, 2001,
40,
9780-9791.
[DOI no: ]
|
|
|
PubMed id
|
|
|
|
|
|
Abstract
|
|
|
Conformations of (R)-beta-(N(6)-adenyl)styrene oxide and
(S)-beta-(N(6)-adenyl)styrene oxide adducts at position X(6) in
d(CGGACXAGAAG).d(CTTCTTGTCCG), incorporating codons 60, 61 (underlined), and 62
of the human N-ras protooncogene, were refined from (1)H NMR data. These were
designated as the beta-R(61,2) and beta-S(61,2) adducts. A total of 533 distance
restraints and 162 dihedral restraints were used for the molecular dynamics
calculations of the beta-S(61,2) adduct, while 518 distances and 163 dihedrals
were used for the beta-R(61,2) adduct. The increased tether length of the
beta-adducts results in two significant changes in adduct structure as compared
to the corresponding alpha-styrenyl adducts [Stone, M. P., and Feng, B. (1996)
Magn. Reson. Chem. 34, S105-S114]. First, it reduces the distortion introduced
into the DNA duplex. For both the beta-R(61,2) and beta-S(61,2) adducts, the
styrenyl moiety was positioned in the major groove of the duplex with little
steric hindrance. Second, it mutes the influence of stereochemistry at the
alpha-carbon such that both the beta-R(61,2) and beta-S(61,2) adducts exhibit
similar conformations. The results were correlated with site-specific
mutagenesis experiments that revealed the beta-R(61,2) and beta-S(61,2) adducts
were not mutagenic and did not block polymerase bypass.
|
|
|
|
|
|
|
|
Headers
|
|
|
|
|
|
