Molecular orbital studies on the conformations of 8-amino- and 8-dimethylaminoadenosine 5'-monophosphate.

  title={Molecular orbital studies on the conformations of 8-amino- and 8-dimethylaminoadenosine 5'-monophosphate.},
  author={Andrew Pohorille and David P{\'e}rahia and Bernard Pullman},
  journal={Biochimica et biophysica acta},
  volume={517 2},
13 Citations

Theoretical studies of nucleic acid conformation: potential energies, chain statistics, and model building

The collected results provide considerable insight into the influence of primary covalent bond structure upon the three-dimensional geometry of these macromolecules and additionally clarify the relationship between the various spatial arrangements and the configuration-dependent properties of the polynucleotide as a whole.

Synthesis of oxygen-linked 8-phenoxyl-deoxyguanosine nucleoside analogues.

A relatively facile synthesis of O-linked 8-dG phenol adducts with a wide variety of electron-donating, electron-withdrawing, and sterically demanding phenols is reported.

Enzymatic Incorporation of Modified Purine Nucleotides in DNA

The experiments demonstrated that small differences in the structure might lead to significant differences in recognition efficiency and selectivity, base pairing by Hoogsteen recognition at the polymerase level is possible, and 8‐aza‐9‐deazaguanine represents a self‐complementary base pair.

Isoleucyl-tRNA synthetase from Baker's yeast. Action of ATP analogs in pyrophosphate exchange and aminoacylation, two pathways of the aminoacylation depending on concentration of pyrophosphate.

The order of substrate addition to isoleucyl-tRNA synthetase from baker's yeast has been investigated by steady-state kinetics with inhibition by four different inhibiting ATP analogs acting

ATP analog specificity of cAMP-dependent protein kinase, cGMP-dependent protein kinase, and phosphorylase kinase.

The data suggest general similarities between the ATP sites of the two homologous cyclic-nucleotide-dependent protein kinases, but specific differences especially in the adenine binding pocket are indicated, suggesting potentially useful ATP analog inhibitors of each kinase.



The Crystal Structure of Adenosine

The crystal structure of adenosine, C10Ht3NsO4, has been determined from the intensities of 1333 reflections, each measured at least four times on an automated diffractomcter. The crystals are

An extended Hückel molecular orbital approach to the study of the electronic structures and barriers to Syn–Anti interconversion in Syn purine nucleosides

The total energy and the electronic properties of some syn purine nucleosides have been determined as a function of the rotation angle around the C–N glycosidic linkage. Invariably, the

Quantum-mechanical studies on the conformation of nucleic acids and their constituents.

The conformation of adenosine diphosphoribose and 8-bromoadenosine diphosphoribose when bound to liver alcohol dehydrogenase.

It was found that ADP-Rib had a conformation very similar to the corresponding part of NAD+, when NAD+ is bound to lactate and malate dehydrogenase, in contrast to the syn conformation found in 8-bromo-adenosine.

X-ray study of 1,5,N(4),N(4)-tetramethylcytosine – an overcrowded molecule with planar structure

LrN, G. H.-Y. & SUNDARALINGAM, M. (1971). Acta Cryst. B27, 961-969. LtN, G. H.-Y., SUNDARALINGAM, M. & ARORA, S. K. (1971). J. Amer. Chem. Soc. 93, 1235-1241. MOTHERWELL, W. D. S., RIVA OI

Stereochemistry of nucleic acids and their constituents. IV. Allowed and preferred conformations of nucleosides, nucleoside mono‐, di‐, tri‐, tetraphosphates, nucleic acids and polynucleotides

A uniform notation and convention is suggested to describe the torsional angles in nucleic acids and their derivatives. The torsional angle χ, relating the stereochemistry of the base with respect to