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Thallium in PDB 1kd3: The Crystal Structure of R(Ggucacagccc)2, Thallium Form

Protein crystallography data

The structure of The Crystal Structure of R(Ggucacagccc)2, Thallium Form, PDB code: 1kd3 was solved by V.Kacer, S.A.Scaringe, J.N.Scarsdale, J.P.Rife, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.72 / 1.80
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 44.232, 44.232, 49.870, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 24.1

Thallium Binding Sites:

The binding sites of Thallium atom in the The Crystal Structure of R(Ggucacagccc)2, Thallium Form (pdb code 1kd3). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 2 binding sites of Thallium where determined in the The Crystal Structure of R(Ggucacagccc)2, Thallium Form, PDB code: 1kd3:
Jump to Thallium binding site number: 1; 2;

Thallium binding site 1 out of 2 in 1kd3

Go back to Thallium Binding Sites List in 1kd3
Thallium binding site 1 out of 2 in the The Crystal Structure of R(Ggucacagccc)2, Thallium Form


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of The Crystal Structure of R(Ggucacagccc)2, Thallium Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl502

b:43.4
occ:0.50
O2 A:C4 2.6 21.7 1.0
N7 B:A7 2.9 21.6 1.0
O B:HOH20 3.0 28.8 1.0
O6 B:G8 3.2 19.2 1.0
C2 A:C4 3.2 21.4 1.0
N3 A:C4 3.3 22.0 1.0
O4 A:U3 3.5 21.6 1.0
O B:HOH311 3.6 23.9 1.0
O A:HOH23 3.6 28.9 1.0
O B:HOH17 3.7 30.9 1.0
C8 B:A7 3.9 20.7 1.0
N6 B:A7 3.9 22.7 1.0
C5 B:A7 3.9 20.0 1.0
C6 B:G8 4.0 20.1 1.0
N4 B:C6 4.1 22.9 1.0
C5 B:C6 4.1 22.4 1.0
N3 A:U3 4.2 20.1 1.0
C4 A:U3 4.3 21.0 1.0
C4 B:C6 4.3 21.6 1.0
C6 B:A7 4.4 21.0 1.0
N7 B:G8 4.5 19.9 1.0
N1 A:C4 4.5 21.9 1.0
C4 A:C4 4.5 22.2 1.0
C5 B:G8 4.6 19.0 1.0
C6 B:C6 5.0 22.1 1.0

Thallium binding site 2 out of 2 in 1kd3

Go back to Thallium Binding Sites List in 1kd3
Thallium binding site 2 out of 2 in the The Crystal Structure of R(Ggucacagccc)2, Thallium Form


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of The Crystal Structure of R(Ggucacagccc)2, Thallium Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl501

b:30.0
occ:0.30
O2 B:C4 2.6 23.4 1.0
N7 A:A7 3.0 20.8 1.0
O A:HOH19 3.0 28.2 1.0
O6 A:G8 3.2 21.4 1.0
C2 B:C4 3.2 21.3 1.0
N3 B:C4 3.3 22.2 1.0
O4 B:U3 3.5 20.5 1.0
O B:HOH22 3.5 26.5 1.0
O A:HOH18 3.5 26.4 1.0
O A:HOH26 3.7 33.6 1.0
C8 A:A7 3.9 21.1 1.0
N6 A:A7 4.0 21.1 1.0
C5 A:A7 4.0 18.1 1.0
C6 A:G8 4.1 20.2 1.0
C5 A:C6 4.1 22.4 1.0
N4 A:C6 4.2 21.7 1.0
N3 B:U3 4.2 20.2 1.0
C4 B:U3 4.2 21.6 1.0
C4 A:C6 4.3 20.5 1.0
C6 A:A7 4.4 19.8 1.0
C4 B:C4 4.5 22.0 1.0
N1 B:C4 4.5 21.6 1.0
N7 A:G8 4.5 19.3 1.0
C5 A:G8 4.6 19.6 1.0
O A:HOH169 4.6 41.2 1.0
C6 A:C6 4.9 21.4 1.0

Reference:

V.Kacer, S.A.Scaringe, J.N.Scarsdale, J.P.Rife. Crystal Structures of R(Ggucacagccc)2. Acta Crystallogr.,Sect.D V. 59 423 2003.
ISSN: ISSN 0907-4449
PubMed: 12595698
DOI: 10.1107/S0907444902021911
Page generated: Wed Dec 16 02:28:31 2020

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