Calcium in PDB 8te2: 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2

The structure of 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2, PDB code: 8te2 was solved by Z.Fang, X.Jia, J.W.Szostak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.22 / 1.63
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	41.562, 41.562, 125.383, 90, 90, 120
R / Rfree (%)	21 / 25.2

The binding sites of Calcium atom in the 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2 (pdb code 8te2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2, PDB code: 8te2:

Calcium binding site 1 out of 1 in the 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 16MER Self-Complementary Duplex Rna with D:C Pair Sequence 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:24.6 occ:1.00 O A:HOH250 2.2 27.0 1.0 O A:HOH251 2.3 27.0 1.0 O A:HOH237 2.3 23.0 1.0 O A:HOH235 2.3 25.6 1.0 O A:HOH222 2.4 21.6 1.0 O A:HOH229 2.6 26.1 1.0 O A:HOH238 2.6 27.4 1.0 N7 A:A3 2.7 19.4 1.0 O A:HOH249 3.4 32.6 1.0 C8 A:A3 3.6 19.5 1.0 C5 A:A3 3.8 19.4 1.0 N6 A:A3 4.0 17.3 1.0 C6 A:A3 4.3 11.8 1.0 OP2 A:A3 4.3 19.4 1.0 N7 A:G2 4.5 18.0 1.0 N9 A:A3 4.8 16.5 1.0 N7 A:G4 4.8 21.5 1.0 OP2 A:G2 4.8 20.8 1.0 O6 A:G4 4.8 20.7 1.0 C4 A:A3 4.9 16.1 1.0 C8 A:G2 4.9 18.0 1.0

X.Jia, Z.Fang, S.C.Kim, D.Ding, L.Zhou, J.W.Szostak. Diaminopurine in Nonenzymatic Rna Template Copying. J.Am.Chem.Soc. 2024.
ISSN: ESSN 1520-5126
PubMed: 38818863
DOI: 10.1021/JACS.4C02560