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Thallium in PDB 3jxc: Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+

Protein crystallography data

The structure of Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+, PDB code: 3jxc was solved by D.Watkins, G.B.Koudelka, L.D.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.61 / 1.90
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 64.249, 64.249, 100.820, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 20.8

Thallium Binding Sites:

The binding sites of Thallium atom in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+ (pdb code 3jxc). This binding sites where shown within 5.0 Angstroms radius around Thallium atom.
In total 4 binding sites of Thallium where determined in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+, PDB code: 3jxc:
Jump to Thallium binding site number: 1; 2; 3; 4;

Thallium binding site 1 out of 4 in 3jxc

Go back to Thallium Binding Sites List in 3jxc
Thallium binding site 1 out of 4 in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 1 of Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl101

b:64.9
occ:0.20
O B:HOH168 2.6 44.6 1.0
O A:HOH145 2.7 32.7 1.0
O6 A:DG28 3.1 18.0 1.0
N7 A:DG28 3.2 19.8 1.0
N7 A:DA27 3.8 21.0 1.0
C6 A:DG28 3.8 17.4 1.0
O A:HOH139 3.8 33.4 1.0
O A:HOH79 3.9 24.2 1.0
C5 A:DG28 3.9 18.6 1.0
C8 A:DA27 4.3 21.7 1.0
C8 A:DG28 4.4 18.4 1.0
C5 A:DA27 4.6 19.7 1.0
O4 B:DT12 4.7 17.5 1.0
O A:HOH320 4.7 50.8 1.0
N6 A:DA29 4.9 16.5 1.0
N6 A:DA27 5.0 20.6 1.0

Thallium binding site 2 out of 4 in 3jxc

Go back to Thallium Binding Sites List in 3jxc
Thallium binding site 2 out of 4 in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 2 of Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Tl102

b:41.9
occ:0.25
N7 A:DG40 2.4 32.2 1.0
O6 A:DG40 2.8 32.4 1.0
C5 A:DG40 3.1 31.1 1.0
C6 A:DG40 3.3 31.4 1.0
C8 A:DG40 3.6 32.3 1.0
C5 A:DT39 3.7 25.7 1.0
C7 A:DT39 3.8 26.1 1.0
C4 A:DT39 4.1 24.3 1.0
C6 A:DT39 4.2 24.6 1.0
O4 A:DT39 4.4 24.7 1.0
C4 A:DG40 4.4 31.4 1.0
N1 A:DG40 4.6 31.9 1.0
N9 A:DG40 4.6 33.7 1.0
N3 A:DT39 4.7 22.4 1.0
N1 A:DT39 4.8 26.2 1.0

Thallium binding site 3 out of 4 in 3jxc

Go back to Thallium Binding Sites List in 3jxc
Thallium binding site 3 out of 4 in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 3 of Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl103

b:37.8
occ:0.35
N7 B:DG20 2.5 34.4 1.0
O6 B:DG20 2.8 34.8 1.0
C5 B:DG20 3.2 33.5 1.0
C6 B:DG20 3.3 34.3 1.0
C8 B:DG20 3.6 34.1 1.0
C5 B:DT19 3.8 28.7 1.0
C7 B:DT19 3.8 28.6 1.0
C4 B:DT19 4.1 28.1 1.0
C6 B:DT19 4.2 28.4 1.0
O4 B:DT19 4.4 29.4 1.0
C4 B:DG20 4.4 33.7 1.0
N1 B:DG20 4.6 34.3 1.0
N9 B:DG20 4.7 35.8 1.0
N3 B:DT19 4.7 26.8 1.0
N1 B:DT19 4.8 30.4 1.0

Thallium binding site 4 out of 4 in 3jxc

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Thallium binding site 4 out of 4 in the Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+


Mono view


Stereo pair view

A full contact list of Thallium with other atoms in the Tl binding site number 4 of Crystal Structure of the P22 C2 Repressor Protein in Complex with Synthetic Operator 9T in the Presence of Tl+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Tl104

b:54.0
occ:0.20
N3 B:DA18 2.7 26.9 1.0
O2 A:DT24 2.9 23.7 1.0
O B:HOH185 2.9 33.0 1.0
O B:HOH199 2.9 33.2 1.0
O4' A:DT25 3.2 28.6 1.0
O4' B:DT19 3.3 38.0 1.0
C2 B:DA18 3.4 27.4 1.0
C4 B:DA18 3.7 27.1 1.0
C4' A:DT25 3.8 29.8 1.0
C1' B:DA18 3.8 30.9 1.0
C4' B:DT19 3.8 39.2 1.0
C5' B:DT19 3.9 41.3 1.0
C2 A:DT24 4.0 21.2 1.0
N9 B:DA18 4.1 28.4 1.0
C5' A:DT25 4.2 30.2 1.0
C2 B:DA17 4.2 27.4 1.0
C1' A:DT25 4.3 26.7 1.0
O4' B:DA18 4.3 35.9 1.0
C1' B:DT19 4.5 32.4 1.0
O A:HOH165 4.5 31.1 1.0
C1' A:DT24 4.6 23.1 1.0
O A:HOH163 4.6 32.0 1.0
N1 A:DT25 4.7 24.9 1.0
N1 B:DA18 4.7 27.1 1.0
N3 B:DA17 4.8 27.2 1.0
N1 B:DT19 4.8 30.4 1.0
O2 A:DT25 4.8 24.1 1.0
N1 A:DT24 4.8 23.5 1.0
C2 A:DT25 4.9 24.5 1.0
N3 A:DT24 4.9 21.3 1.0
O5' B:DT19 4.9 42.6 1.0
N1 B:DA17 5.0 26.4 1.0
C2' B:DA18 5.0 35.4 1.0
C5 B:DA18 5.0 28.0 1.0

Reference:

D.Watkins, S.Mohan, G.B.Koudelka, L.D.Williams. Sequence Recognition of Dna By Protein-Induced Conformational Transitions. J.Mol.Biol. V. 396 1145 2010.
ISSN: ISSN 0022-2836
PubMed: 20053356
DOI: 10.1016/J.JMB.2009.12.050
Page generated: Wed Dec 16 02:28:42 2020

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