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Barium in PDB 1qyk: Gcatgct + Barium

Protein crystallography data

The structure of Gcatgct + Barium, PDB code: 1qyk was solved by C.J.Cardin, Y.Gan, J.H.Thorpe, S.C.M.Teixeira, B.C.Gale, M.I.A.Moraes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 100.00 / 1.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 22.015, 59.536, 47.667, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 22.4

Barium Binding Sites:

The binding sites of Barium atom in the Gcatgct + Barium (pdb code 1qyk). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Gcatgct + Barium, PDB code: 1qyk:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in 1qyk

Go back to Barium Binding Sites List in 1qyk
Barium binding site 1 out of 2 in the Gcatgct + Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Gcatgct + Barium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba8

b:31.8
occ:1.00
O A:HOH105 2.7 65.1 1.0
O A:HOH121 2.7 64.5 1.0
O A:HOH106 2.8 22.8 1.0
O A:HOH117 2.9 18.3 1.0
O A:HOH122 3.0 56.0 1.0
O A:HOH120 3.2 26.3 1.0
O A:HOH132 3.3 31.7 0.5
O A:HOH118 4.2 37.6 1.0
O A:HOH141 4.4 30.2 0.5
OP1 A:DA3 4.7 18.8 1.0
OP2 A:DA3 4.8 13.6 1.0

Barium binding site 2 out of 2 in 1qyk

Go back to Barium Binding Sites List in 1qyk
Barium binding site 2 out of 2 in the Gcatgct + Barium


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Gcatgct + Barium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ba8

b:52.3
occ:1.00
O B:HOH131 2.5 54.5 0.5
O B:HOH130 2.7 49.0 0.5
OP1 B:DC6 2.7 23.4 1.0
OP1 B:DC2 3.0 18.9 1.0
O3' B:DG1 3.3 20.3 1.0
O3' B:DG5 3.3 18.3 1.0
P B:DC6 3.6 23.0 1.0
P B:DC2 3.8 18.6 1.0
C3' B:DG5 4.4 18.0 1.0
OP2 B:DC6 4.4 21.8 1.0
C5' B:DC2 4.4 12.1 1.0
C3' B:DG1 4.4 22.0 1.0
O B:HOH114 4.5 43.9 1.0
C4' B:DG1 4.6 23.8 1.0
O5' B:DC2 4.6 14.3 1.0
C4' B:DG5 4.7 17.2 1.0
O5' B:DC6 4.8 21.7 1.0
OP2 B:DC2 5.0 21.7 1.0

Reference:

C.J.Cardin, Y.Gan, J.H.Thorpe, S.C.M.Teixeira, B.C.Gale, M.I.A.Moraes. Metal Ion Distribution and Stabilization of the Dna Quadruplex Structure Formed By D(Gcatgct) To Be Published.
Page generated: Tue Oct 27 17:00:07 2020

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