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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: Wed Dec 16 02:28:35 2020

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