Atomistry » Thallium » PDB 1f1h-4wfh » 1p20
Atomistry »
  Thallium »
    PDB 1f1h-4wfh »
      1p20 »

Thallium in PDB 1p20: Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes

Protein crystallography data

The structure of Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes, PDB code: 1p20 was solved by S.B.Howerton, A.Nagpal, L.D.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.34
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 27.894, 27.894, 52.270, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 21.5

Thallium Binding Sites:

The binding sites of Thallium atom in the Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes (pdb code 1p20). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 3 binding sites of Thallium where determined in the Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes, PDB code: 1p20:
Jump to Thallium binding site number: 1; 2; 3;

Thallium binding site 1 out of 3 in 1p20

Go back to Thallium Binding Sites List in 1p20
Thallium binding site 1 out of 3 in the Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl8

b:14.6
occ:0.50
TL A:TL10 1.4 16.2 0.2
N7 A:DG6 2.8 8.0 1.0
O6 A:DG6 2.9 7.5 1.0
O4 A:DM27 3.1 9.3 1.0
O6 A:DM27 3.1 7.3 1.0
C5 A:DG6 3.4 7.6 1.0
C6 A:DG6 3.5 7.3 1.0
C6 A:DM27 3.6 6.0 1.0
C4 A:DM27 3.6 8.2 1.0
O A:HOH59 3.7 32.3 1.0
C21 A:DM27 3.8 11.7 1.0
C5 A:DM27 3.9 7.4 1.0
C8 A:DG6 3.9 7.5 1.0
C7 A:DM27 4.7 5.7 1.0
C3 A:DM27 4.7 11.2 1.0
C4 A:DG6 4.7 6.1 1.0
N1 A:DG6 4.8 7.2 1.0
O8 A:DM27 4.9 7.3 1.0
N9 A:DG6 5.0 6.6 1.0
C20 A:DM27 5.0 7.9 1.0

Thallium binding site 2 out of 3 in 1p20

Go back to Thallium Binding Sites List in 1p20
Thallium binding site 2 out of 3 in the Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl9

b:26.3
occ:0.20
O A:HOH68 1.8 26.8 1.0
O A:HOH55 2.4 37.2 1.0
N7 A:DG2 2.8 7.5 1.0
O6 A:DG2 2.9 8.1 1.0
C5 A:DG2 3.4 7.0 1.0
C6 A:DG2 3.5 6.7 1.0
C8 A:DG2 3.9 7.7 1.0
O A:HOH20 4.6 16.5 1.0
O A:HOH41 4.6 24.1 1.0
C4 A:DG2 4.7 6.0 1.0
N1 A:DG2 4.8 6.1 1.0
O A:HOH36 4.9 22.8 1.0
O5' A:DC1 5.0 8.7 1.0
N9 A:DG2 5.0 7.7 1.0

Thallium binding site 3 out of 3 in 1p20

Go back to Thallium Binding Sites List in 1p20
Thallium binding site 3 out of 3 in the Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl10

b:16.2
occ:0.20
TL A:TL8 1.4 14.6 0.5
O A:HOH59 2.3 32.3 1.0
N7 A:DG6 2.7 8.0 1.0
O6 A:DM27 3.0 7.3 1.0
O4 A:DM27 3.1 9.3 1.0
C8 A:DG6 3.5 7.5 1.0
C21 A:DM27 3.6 11.7 1.0
C5 A:DG6 3.8 7.6 1.0
C6 A:DM27 3.9 6.0 1.0
O6 A:DG6 4.0 7.5 1.0
C2' A:DC5 4.0 12.1 1.0
C4 A:DM27 4.1 8.2 1.0
OP2 A:DG6 4.1 11.7 1.0
C6 A:DG6 4.3 7.3 1.0
O A:HOH64 4.5 33.7 1.0
C5 A:DM27 4.5 7.4 1.0
O3' A:DC5 4.5 11.6 1.0
O8 A:DM27 4.8 7.3 1.0
N9 A:DG6 4.8 6.6 1.0
C3' A:DC5 4.8 12.5 1.0
C4 A:DG6 4.9 6.1 1.0
C1' A:DC5 4.9 10.4 1.0
P A:DG6 5.0 14.4 1.0

Reference:

S.B.Howerton, A.Nagpal, L.D.Williams. Surprising Roles of Electrostatic Interactions in Dna-Ligand Complexes Biopolymers V. 69 87 2003.
ISSN: ISSN 0006-3525
PubMed: 12717724
DOI: 10.1002/BIP.10319
Page generated: Fri Oct 11 09:31:54 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy