Calcium in PDB 1yy0: Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch

The structure of Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch, PDB code: 1yy0 was solved by C.M.Gherghe, J.M.Krahn, K.M.Weeks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.99 / 3.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	42.600, 42.600, 121.000, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 26.4

The binding sites of Calcium atom in the Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch (pdb code 1yy0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch, PDB code: 1yy0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca17 b:27.2 occ:1.00 O2' A:C16 2.5 51.5 1.0 O3' A:C16 2.8 52.0 1.0 C3' A:C16 3.4 51.4 1.0 C2' A:C16 3.5 51.3 1.0 C4' A:C16 3.7 51.4 1.0 C1' A:C16 4.6 51.1 1.0 O4' A:C16 4.7 51.4 1.0 C5' A:C16 4.8 51.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of An Rna Duplex Containing A 2'-Amine Substitution and A 2'-Amide Product Produced By in-Crystal Acylation at A C-A Mismatch within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca17 b:73.3 occ:0.50 O C:HOH20 2.5 58.7 1.0 O C:HOH19 2.5 51.3 1.0

C.M.Gherghe, J.M.Krahn, K.M.Weeks. Crystal Structures, Reactivity and Inferred Acylation Transition States For 2'-Amine Substituted Rna. J.Am.Chem.Soc. V. 127 13622 2005.
ISSN: ISSN 0002-7863
PubMed: 16190727
DOI: 10.1021/JA053647Y