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

Protein crystallography data

The structure of Crystal Structure of Human Sting in Complex with 3',3'-C-Di-(2'F, 2'DAmp), PDB code: 7zwl 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) 15.96 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.969, 92.969, 203.905, 90, 90, 120
R / Rfree (%) 21.6 / 24.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Sting in Complex with 3',3'-C-Di-(2'F, 2'DAmp) (pdb code 7zwl). 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-Di-(2'F, 2'DAmp), PDB code: 7zwl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7zwl

Go back to Fluorine Binding Sites List in 7zwl
Fluorine binding site 1 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-Di-(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-Di-(2'F, 2'DAmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:25.2
occ:1.00
 F22 A:K43401 0.0 25.2 1.0
C22 A:K43401 1.4 22.5 1.0
C23 A:K43401 2.4 21.0 1.0
C21 A:K43401 2.4 18.7 1.0
C24 A:K43401 2.8 21.5 1.0
O23 A:K43401 2.8 24.3 1.0
C26 A:K43401 3.0 19.4 1.0
CD B:PRO264 3.2 27.0 1.0
CG B:PRO264 3.4 25.8 1.0
CD1 B:TYR163 3.5 24.4 1.0
O B:HOH413 3.6 23.4 1.0
CB B:THR263 3.6 27.7 1.0
N9 A:K43401 3.6 21.3 1.0
CE1 B:TYR163 3.9 22.1 1.0
N B:PRO264 4.0 24.9 1.0
P35 A:K43401 4.0 25.8 1.0
O35B A:K43401 4.1 27.9 1.0
N3 A:K43401 4.2 26.3 1.0
OG1 B:THR263 4.2 26.6 1.0
C25 A:K43401 4.3 21.0 1.0
CG2 B:THR263 4.3 25.5 1.0
C4 A:K43401 4.3 22.9 1.0
CA B:THR263 4.4 25.6 1.0
N B:THR263 4.4 27.8 1.0
O B:HOH452 4.5 25.8 1.0
C B:THR263 4.5 28.0 1.0
CG B:TYR163 4.6 21.0 1.0
O35A A:K43401 4.7 24.9 1.0
CB B:PRO264 4.7 27.4 1.0
C8 A:K43401 4.7 24.0 1.0
CA B:PRO264 4.9 23.9 1.0
CA B:TYR163 4.9 21.1 1.0
CB B:TYR163 5.0 19.5 1.0

Fluorine binding site 2 out of 2 in 7zwl

Go back to Fluorine Binding Sites List in 7zwl
Fluorine binding site 2 out of 2 in the Crystal Structure of Human Sting in Complex with 3',3'-C-Di-(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-Di-(2'F, 2'DAmp) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:24.6
occ:1.00
 F32 A:K43401 0.0 24.6 1.0
C32 A:K43401 1.4 19.3 1.0
C33 A:K43401 2.4 20.9 1.0
C31 A:K43401 2.4 21.1 1.0
O33 A:K43401 2.8 21.6 1.0
C34 A:K43401 2.8 22.2 1.0
O A:HOH522 3.0 23.8 1.0
C36 A:K43401 3.0 20.4 1.0
CD A:PRO264 3.1 22.2 1.0
CD1 A:TYR163 3.3 18.7 1.0
CG A:PRO264 3.3 23.6 1.0
CE1 A:TYR163 3.5 21.2 1.0
CB A:THR263 3.6 20.5 1.0
N19 A:K43401 3.7 18.2 1.0
P25 A:K43401 4.0 21.4 1.0
N A:PRO264 4.0 23.0 1.0
O25B A:K43401 4.0 21.9 1.0
OG1 A:THR263 4.0 21.8 1.0
N13 A:K43401 4.2 25.5 1.0
N A:THR263 4.2 20.6 1.0
CA A:THR263 4.3 21.0 1.0
C14 A:K43401 4.3 24.8 1.0
C35 A:K43401 4.3 20.0 1.0
C A:THR263 4.5 22.3 1.0
CG2 A:THR263 4.5 19.5 1.0
CG A:TYR163 4.5 23.0 1.0
O25A A:K43401 4.6 20.1 1.0
CB A:PRO264 4.7 24.8 1.0
C18 A:K43401 4.8 23.8 1.0
CZ A:TYR163 4.8 21.6 1.0
CA A:PRO264 4.9 21.6 1.0
NH1 B:ARG238 5.0 20.6 1.0

Reference:

M.Klima, M.Smola, E.Boura. Crystal Structure of Human Sting in Complex with 3',3'-C-Di-(2'F,2'DAmp) To Be Published.
Page generated: Fri Aug 2 16:20:59 2024

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