Fluorine in PDB 7zv0: Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'F,2'DAmp)

Protein crystallography data

The structure of Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp- 2'F,2'DAmp), PDB code: 7zv0 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) 34.08 / 2.31
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.916, 110.916, 35.818, 90, 90, 90
R / Rfree (%) 20.6 / 23

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'F,2'DAmp) (pdb code 7zv0). 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'F,2'DAmp), PDB code: 7zv0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7zv0

Go back to Fluorine Binding Sites List in 7zv0
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'F,2'DAmp)


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'F,2'DAmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:19.8
occ:0.50
 F22 A:K1C401 0.0 19.8 0.5
C22 A:K1C401 1.4 20.1 0.5
C23 A:K1C401 2.4 19.9 0.5
C21 A:K1C401 2.4 19.9 0.5
O23 A:K1C401 2.7 19.8 0.5
C24 A:K1C401 2.8 20.8 0.5
O24 A:K1C401 3.0 19.9 0.5
CD A:PRO264 3.2 18.5 1.0
CB A:THR263 3.3 22.0 1.0
O A:HOH511 3.3 18.3 1.0
CG A:PRO264 3.5 18.4 1.0
CD1 A:TYR163 3.5 19.9 1.0
N9 A:K1C401 3.7 19.4 0.5
O35A A:K1C401 3.8 20.1 0.5
P35 A:K1C401 3.8 21.3 0.5
OG1 A:THR263 3.8 19.6 1.0
CE1 A:TYR163 3.8 16.7 1.0
N A:PRO264 3.9 19.6 1.0
CG2 A:THR263 4.1 17.0 1.0
CA A:THR263 4.2 20.1 1.0
N3 A:K1C401 4.2 19.8 0.5
C25 A:K1C401 4.3 20.0 0.5
C4 A:K1C401 4.3 19.6 0.5
N A:THR263 4.3 21.2 1.0
C A:THR263 4.3 19.4 1.0
O35B A:K1C401 4.5 19.1 0.5
CG A:TYR163 4.8 17.6 1.0
C8 A:K1C401 4.8 20.2 0.5
CB A:PRO264 4.8 16.8 1.0
CA A:PRO264 4.8 19.5 1.0
O A:HOH515 4.9 22.3 1.0

Fluorine binding site 2 out of 2 in 7zv0

Go back to Fluorine Binding Sites List in 7zv0
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'F,2'DAmp)


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'F,2'DAmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:19.8
occ:0.50
 F32 A:K1C401 0.0 19.8 0.5
C32 A:K1C401 1.4 20.1 0.5
C33 A:K1C401 2.4 19.7 0.5
C31 A:K1C401 2.4 19.8 0.5
O33 A:K1C401 2.7 19.8 0.5
C34 A:K1C401 2.7 20.8 0.5
C36 A:K1C401 2.9 20.1 0.5
N19 A:K1C401 3.7 19.4 0.5
P25 A:K1C401 3.9 21.3 0.5
O25B A:K1C401 4.0 20.0 0.5
C35 A:K1C401 4.2 19.9 0.5
N13 A:K1C401 4.3 19.8 0.5
C14 A:K1C401 4.4 19.6 0.5
O25A A:K1C401 4.6 19.0 0.5
C18 A:K1C401 4.8 20.2 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'F,2'DAmp) To Be Published.
Page generated: Fri Aug 2 16:19:47 2024

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