Chlorine in PDB 4pco: Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs

The structure of Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs, PDB code: 4pco was solved by B.H.M.Mooers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.52 / 1.32
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	36.616, 43.224, 83.256, 90.00, 102.48, 90.00
R / Rfree (%)	15.5 / 18.4

The structure of Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs also contains other interesting chemical elements:

Cobalt

(Co)

13 atoms

The binding sites of Chlorine atom in the Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs (pdb code 4pco). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs, PDB code: 4pco:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:16.4 occ:0.77 O2' A:U9 3.0 12.8 1.0 H21 B:G2 3.1 16.9 1.0 HO2' A:U9 3.2 15.4 1.0 O B:HOH241 3.6 17.4 1.0 H1' A:U9 3.7 14.3 1.0 N2 B:G2 3.8 14.1 1.0 H22 B:G2 3.8 16.9 1.0 C2' A:U9 4.0 12.4 1.0 H2' A:U9 4.1 14.9 1.0 O2 A:U9 4.2 11.7 1.0 O4' A:U10 4.2 11.0 1.0 C1' A:U9 4.4 11.9 1.0 H5' A:U10 4.5 14.1 1.0 H21 A:G8 4.5 14.6 1.0 H4' A:U10 4.5 13.8 1.0 H1' A:U10 4.6 13.3 1.0 H22 A:G8 4.8 14.6 1.0 N2 A:G8 4.8 12.2 1.0 C4' A:U10 4.8 11.5 1.0 H1 B:G2 4.8 13.4 1.0 C1' A:U10 5.0 11.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl105 b:20.6 occ:0.58 N6 C:NCO101 3.2 19.3 1.0 N6 B:NCO101 3.4 14.7 1.0 N3 A:NCO102 3.5 19.5 0.6 N4 A:NCO102 3.5 17.4 0.6 N5 B:NCO101 3.5 14.4 1.0 N2 B:NCO101 3.6 15.3 1.0 N5 C:NCO101 3.7 18.1 1.0 N1 C:NCO101 3.8 18.4 1.0 O A:HOH210 4.0 50.8 1.0 N1 A:NCO102 4.3 16.4 0.6 CO C:NCO101 4.3 16.9 1.0 CO B:NCO101 4.3 12.7 1.0 CO A:NCO102 4.5 17.8 0.6 O4 A:U10 4.6 12.8 1.0 O6 B:G1 5.0 11.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Double-Stranded Rna with Four Terminal Gu Wobble Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:30.2 occ:0.68 N6 A:NCO101 3.2 21.1 1.0 N4 B:NCO103 3.3 22.6 0.5 N5 B:NCO103 3.3 24.1 0.5 N3 A:NCO101 3.4 20.2 1.0 N1 A:NCO101 3.6 23.2 1.0 O B:HOH228 3.9 28.3 1.0 N2 B:NCO103 4.0 21.2 0.5 O B:HOH216 4.0 22.1 1.0 CO A:NCO101 4.1 19.9 1.0 CO B:NCO103 4.2 22.7 0.5 O4 B:U10 4.7 15.1 1.0

X.Gu, B.H.Mooers, L.M.Thomas, J.Malone, S.Harris, S.J.Schroeder. Structures and Energetics of Four Adjacent Gu Pairs That Stabilize An Rna Helix. J.Phys.Chem.B V. 119 13252 2015.
ISSN: ISSN 1089-5647
PubMed: 26425937
DOI: 10.1021/ACS.JPCB.5B06970