Fluorine in PDB 8a2x: Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F, 2'Damp(S)-2'F,2'DAmp(S))

Protein crystallography data

The structure of Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F, 2'Damp(S)-2'F,2'DAmp(S)), PDB code: 8a2x 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) 39.25 / 3.00
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 111.009, 111.009, 35.625, 90, 90, 90
R / Rfree (%) 22.2 / 29.1

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(S)-2'F,2'DAmp(S)) (pdb code 8a2x). 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(S)-2'F,2'DAmp(S)), PDB code: 8a2x:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 8a2x

Go back to Fluorine Binding Sites List in 8a2x
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F, 2'Damp(S)-2'F,2'DAmp(S))


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

b:36.1
occ:0.50
 F22 A:KZA401 0.0 36.1 0.5
C22 A:KZA401 1.4 39.9 0.5
C21 A:KZA401 2.4 37.4 0.5
C23 A:KZA401 2.4 34.6 0.5
O23 A:KZA401 2.7 52.6 0.5
C24 A:KZA401 2.9 37.0 0.5
O24 A:KZA401 3.0 37.6 0.5
N9 A:KZA401 3.7 42.0 0.5
O36 A:KZA401 3.8 35.3 0.5
P35 A:KZA401 3.8 33.2 0.5
N3 A:KZA401 4.2 35.1 0.5
C4 A:KZA401 4.3 32.9 0.5
C25 A:KZA401 4.4 30.4 0.5
C8 A:KZA401 4.8 38.7 0.5
S36 A:KZA401 4.8 50.5 0.5

Fluorine binding site 2 out of 2 in 8a2x

Go back to Fluorine Binding Sites List in 8a2x
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F, 2'Damp(S)-2'F,2'DAmp(S))


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

b:35.8
occ:0.50
 F32 A:KZA401 0.0 35.8 0.5
C32 A:KZA401 1.4 39.9 0.5
C31 A:KZA401 2.4 37.5 0.5
C33 A:KZA401 2.4 35.9 0.5
O33 A:KZA401 2.7 51.8 0.5
C34 A:KZA401 2.8 36.8 0.5
C36 A:KZA401 3.0 38.1 0.5
CD A:PRO264 3.1 27.9 1.0
CB A:THR263 3.3 51.3 1.0
CG A:PRO264 3.3 49.2 1.0
CD1 A:TYR163 3.5 27.4 1.0
OG1 A:THR263 3.6 45.3 1.0
N19 A:KZA401 3.7 42.1 0.5
CE1 A:TYR163 3.7 57.1 1.0
O26 A:KZA401 3.8 34.8 0.5
P25 A:KZA401 3.9 33.0 0.5
N A:PRO264 3.9 37.0 1.0
CA A:THR263 4.1 37.1 1.0
CG2 A:THR263 4.2 27.7 1.0
N A:THR263 4.2 50.9 1.0
N13 A:KZA401 4.3 35.3 0.5
C A:THR263 4.3 40.1 1.0
C35 A:KZA401 4.3 32.0 0.5
C14 A:KZA401 4.4 33.8 0.5
CB A:PRO264 4.6 52.5 1.0
CG A:TYR163 4.7 56.9 1.0
CA A:PRO264 4.7 69.7 1.0
C18 A:KZA401 4.8 38.5 0.5
S26 A:KZA401 4.9 51.6 0.5

Reference:

M.Klima, M.Smola, E.Boura. Crystal Structure of Human Sting in Complex with 3',3'-C-(2'F,2'Damp(S)-2'F,2'DAmp(S)) To Be Published.
Page generated: Fri Aug 2 16:25:19 2024

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