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Fluorine in PDB 7zku: Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp)

Protein crystallography data

The structure of Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp), PDB code: 7zku was solved by M.Klima, M.Smola, E.Boura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.94 / 1.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 93.158, 93.158, 204.062, 90, 90, 120
R / Rfree (%) 22.2 / 24.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp) (pdb code 7zku). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp), PDB code: 7zku:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7zku

Go back to Fluorine Binding Sites List in 7zku
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:20.5
occ:0.50
 F22 A:JLU401 0.0 20.5 0.5
C32 A:JLU401 1.3 22.9 0.5
C22 A:JLU401 1.4 22.9 0.5
C33 A:JLU401 2.3 23.8 0.5
C31 A:JLU401 2.4 21.1 0.5
C23 A:JLU401 2.4 23.7 0.5
C21 A:JLU401 2.4 22.1 0.5
C24 A:JLU401 2.7 22.4 0.5
O23 A:JLU401 2.7 25.8 0.5
C34 A:JLU401 2.7 22.5 0.5
O33 A:JLU401 2.7 27.2 0.5
C36 A:JLU401 2.9 25.5 0.5
O24 A:JLU401 2.9 25.0 0.5
CD A:PRO264 2.9 20.0 1.0
CD1 A:TYR163 3.1 22.0 1.0
O A:HOH514 3.2 25.3 1.0
CG A:PRO264 3.2 20.3 1.0
CE1 A:TYR163 3.4 23.6 1.0
CB A:THR263 3.5 19.8 1.0
N19 A:JLU401 3.6 24.0 0.5
N9 A:JLU401 3.6 23.2 0.5
N A:PRO264 3.9 20.5 1.0
OG1 A:THR263 3.9 23.0 1.0
P35 A:JLU401 3.9 26.0 0.5
P25 A:JLU401 4.0 20.6 0.5
O25B A:JLU401 4.1 23.1 0.5
O35B A:JLU401 4.1 21.8 0.5
C25 A:JLU401 4.2 22.8 0.5
CA A:THR263 4.2 16.1 1.0
N A:THR263 4.2 16.5 1.0
C35 A:JLU401 4.2 21.2 0.5
N3 A:JLU401 4.3 27.1 0.5
C14 A:JLU401 4.3 24.6 0.5
N13 A:JLU401 4.3 27.0 0.5
C4 A:JLU401 4.3 25.7 0.5
C A:THR263 4.4 22.2 1.0
CG A:TYR163 4.4 23.9 1.0
CG2 A:THR263 4.5 20.7 1.0
O35A A:JLU401 4.6 18.8 0.5
CB A:PRO264 4.6 23.5 1.0
O25A A:JLU401 4.7 27.9 0.5
CZ A:TYR163 4.7 25.9 1.0
C18 A:JLU401 4.7 25.7 0.5
C8 A:JLU401 4.7 25.9 0.5
CA A:PRO264 4.8 21.1 1.0
CB A:TYR163 4.9 20.6 1.0
O25 A:JLU401 5.0 23.1 0.5
O35 A:JLU401 5.0 24.2 0.5

Fluorine binding site 2 out of 2 in 7zku

Go back to Fluorine Binding Sites List in 7zku
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'DGmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:21.9
occ:0.50
 F22 A:JLU401 0.0 21.9 0.5
C32 A:JLU401 1.2 23.7 0.5
C22 A:JLU401 1.4 23.7 0.5
C33 A:JLU401 2.3 24.2 0.5
C31 A:JLU401 2.4 21.2 0.5
C21 A:JLU401 2.4 22.2 0.5
C23 A:JLU401 2.4 23.4 0.5
C24 A:JLU401 2.7 25.1 0.5
O23 A:JLU401 2.7 28.9 0.5
O33 A:JLU401 2.7 28.7 0.5
C34 A:JLU401 2.8 23.2 0.5
O24 A:JLU401 2.9 22.4 0.5
C36 A:JLU401 3.0 25.2 0.5
CD B:PRO264 3.2 28.3 1.0
CG B:PRO264 3.4 24.7 1.0
O B:HOH411 3.5 28.0 1.0
CB B:THR263 3.5 24.2 1.0
N19 A:JLU401 3.6 21.4 0.5
CD1 B:TYR163 3.6 23.0 1.0
N9 A:JLU401 3.6 21.4 0.5
N B:PRO264 4.0 23.9 1.0
P35 A:JLU401 4.0 28.2 0.5
P25 A:JLU401 4.0 26.2 0.5
CE1 B:TYR163 4.0 22.6 1.0
O25B A:JLU401 4.1 24.4 0.5
O35B A:JLU401 4.1 24.1 0.5
N13 A:JLU401 4.1 23.3 0.5
CG2 B:THR263 4.2 28.5 1.0
C25 A:JLU401 4.2 19.3 0.5
C14 A:JLU401 4.2 21.5 0.5
OG1 B:THR263 4.2 30.4 1.0
O B:HOH477 4.2 27.8 1.0
C35 A:JLU401 4.3 22.8 0.5
N3 A:JLU401 4.3 23.9 0.5
CA B:THR263 4.3 30.2 1.0
C4 A:JLU401 4.3 21.7 0.5
C B:THR263 4.4 24.6 1.0
N B:THR263 4.5 25.8 1.0
O35A A:JLU401 4.7 28.1 0.5
C18 A:JLU401 4.7 23.7 0.5
C8 A:JLU401 4.7 23.0 0.5
O25A A:JLU401 4.7 29.0 0.5
CG B:TYR163 4.8 18.0 1.0
CB B:PRO264 4.8 26.0 1.0
CA B:PRO264 4.8 20.6 1.0
O25 A:JLU401 5.0 19.4 0.5

Reference:

M.Klima, M.Smola, E.Boura. Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp-2'DGmp) To Be Published.
Page generated: Fri Aug 2 16:17:01 2024

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