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Barium in PDB 4xk0: Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium

Protein crystallography data

The structure of Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium, PDB code: 4xk0 was solved by M.C.Chen, P.Murat, K.A.Abecassis, A.R.Ferre-D'amare, S.Balasubramanian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.54 / 1.08
Space group P 4
Cell size a, b, c (Å), α, β, γ (°) 33.133, 33.133, 54.843, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 4xk0:

The structure of Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium also contains other interesting chemical elements:

Potassium (K) 9 atoms

Barium Binding Sites:

The binding sites of Barium atom in the Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium (pdb code 4xk0). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 3 binding sites of Barium where determined in the Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium, PDB code: 4xk0:
Jump to Barium binding site number: 1; 2; 3;

Barium binding site 1 out of 3 in 4xk0

Go back to Barium Binding Sites List in 4xk0
Barium binding site 1 out of 3 in the Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba106

b:10.0
occ:0.64
O A:HOH219 2.7 23.6 1.0
O A:HOH233 2.7 16.6 1.0
O A:HOH227 2.8 25.6 1.0
O2' A:U5 2.8 7.6 1.0
O A:HOH220 2.8 18.5 1.0
O3' A:U5 2.9 11.4 1.0
O A:HOH221 2.9 18.5 1.0
O A:HOH223 3.1 11.0 1.0
H1' A:U5 3.6 9.5 1.0
C2' A:U5 3.8 7.8 1.0
C3' A:U5 3.9 8.8 1.0
C1' A:U5 4.2 7.9 1.0
OP2 A:G4 4.3 6.8 1.0
O2 A:U5 4.4 9.1 1.0
H3' A:U5 4.4 10.6 1.0
H2' A:U5 4.6 9.3 1.0
O A:HOH216 4.7 22.1 1.0
O A:HOH232 4.9 8.4 1.0

Barium binding site 2 out of 3 in 4xk0

Go back to Barium Binding Sites List in 4xk0
Barium binding site 2 out of 3 in the Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium within 5.0Å range:

Barium binding site 3 out of 3 in 4xk0

Go back to Barium Binding Sites List in 4xk0
Barium binding site 3 out of 3 in the Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of Crystal Structure of A Tetramolecular Rna G-Quadruplex in Potassium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ba105

b:5.5
occ:0.86
O C:HOH206 2.7 15.4 1.0
O C:HOH221 2.7 11.7 1.0
O3' C:U2 2.8 9.5 1.0
O C:HOH219 2.8 8.4 1.0
O2' C:U2 3.0 7.7 1.0
HO2' C:U2 3.1 9.2 1.0
H1' C:U2 3.7 9.3 1.0
C2' C:U2 3.8 6.8 1.0
C3' C:U2 3.9 8.8 1.0
OP2 C:G1 4.1 6.9 1.0
C1' C:U2 4.3 7.7 1.0
H3' C:U2 4.4 10.5 1.0
H2' C:U2 4.7 8.2 1.0
O2 C:U2 4.8 7.5 1.0
OP2 C:G0 4.9 9.7 1.0
H4' C:U2 5.0 10.7 1.0
C4' C:U2 5.0 8.9 1.0

Reference:

M.C.Chen, P.Murat, K.A.Abecassis, A.R.Ferre-D'amare, S.Balasubramanian. Insights Into the Mechanism of A G-Quadruplex-Unwinding Deah-Box Helicase Nucleic Acids Res. 2015.
ISSN: ESSN 1362-4962
DOI: 10.1093/NAR/GKV051
Page generated: Sat Dec 12 01:57:09 2020

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