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Fluorine in PDB 6yea: Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp

Protein crystallography data

The structure of Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp, PDB code: 6yea was solved by E.Boura, M.Smola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.09 / 2.81
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 110.948, 110.948, 35.586, 90, 90, 90
R / Rfree (%) 20.8 / 23.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp (pdb code 6yea). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp, PDB code: 6yea:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6yea

Go back to Fluorine Binding Sites List in 6yea
Fluorine binding site 1 out of 2 in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp


Mono view


Stereo pair view

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

b:39.8
occ:0.50
F6 A:OOE401 0.0 39.8 0.5
C16 A:OOE401 1.4 40.8 0.5
H16 A:OOE401 2.0 49.1 0.5
C15 A:OOE401 2.3 39.4 0.5
C17 A:OOE401 2.4 43.7 0.5
H17 A:OOE401 2.6 52.6 0.5
O7 A:OOE401 2.7 46.5 0.5
H18 A:OOE401 2.8 49.7 0.5
C18 A:OOE401 2.9 41.3 0.5
O5 A:OOE401 2.9 37.9 0.5
H15 A:OOE401 3.3 47.4 0.5
N6 A:OOE401 3.6 43.3 0.5
P A:OOE401 3.9 37.3 0.5
O A:OOE401 4.0 40.2 0.5
C11 A:OOE401 4.2 42.7 0.5
N5 A:OOE401 4.3 47.3 0.5
C19 A:OOE401 4.4 39.8 0.5
O3 A:OOE401 4.7 38.5 0.5
C14 A:OOE401 4.7 45.8 0.5
H191 A:OOE401 4.7 48.0 0.5
H192 A:OOE401 4.9 48.0 0.5
H14 A:OOE401 4.9 55.1 0.5
O A:HOH502 5.0 28.8 1.0

Fluorine binding site 2 out of 2 in 6yea

Go back to Fluorine Binding Sites List in 6yea
Fluorine binding site 2 out of 2 in the Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp


Mono view


Stereo pair view

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

b:40.4
occ:0.50
F9 A:OOE401 0.0 40.4 0.5
C6 A:OOE401 1.4 42.4 0.5
H6 A:OOE401 2.0 51.0 0.5
C5 A:OOE401 2.3 39.5 0.5
C7 A:OOE401 2.4 44.1 0.5
H7 A:OOE401 2.6 53.1 0.5
O10 A:OOE401 2.7 43.5 0.5
H8 A:OOE401 2.8 47.1 0.5
C8 A:OOE401 2.9 39.1 0.5
O1 A:OOE401 2.9 37.9 0.5
CD A:PRO264 3.0 33.2 1.0
H5 A:OOE401 3.3 47.6 0.5
CG A:PRO264 3.3 35.8 1.0
CB A:THR263 3.3 48.4 1.0
CD1 A:TYR163 3.4 36.3 1.0
N2 A:OOE401 3.6 44.2 0.5
CE1 A:TYR163 3.6 47.7 1.0
OG1 A:THR263 3.7 49.2 1.0
N A:PRO264 3.9 34.9 1.0
P1 A:OOE401 3.9 37.1 0.5
O22 A:OOE401 4.0 39.2 0.5
C1 A:OOE401 4.2 42.8 0.5
N1 A:OOE401 4.2 47.1 0.5
CA A:THR263 4.2 38.5 1.0
CG2 A:THR263 4.3 39.4 1.0
N A:THR263 4.4 41.0 1.0
C9 A:OOE401 4.4 39.3 0.5
C A:THR263 4.4 45.8 1.0
CG A:TYR163 4.6 43.5 1.0
O4 A:OOE401 4.6 38.4 0.5
CB A:PRO264 4.7 33.0 1.0
C4 A:OOE401 4.7 45.6 0.5
H92 A:OOE401 4.7 47.3 0.5
CA A:PRO264 4.8 42.0 1.0
H91 A:OOE401 4.9 47.3 0.5
H4 A:OOE401 5.0 54.9 0.5
CZ A:TYR163 5.0 45.0 1.0
CA A:TYR163 5.0 31.5 1.0

Reference:

E.Boura, M.Smola. Human Wtsting in Complex with 2',2'-Difluoro-3',3'-Cgamp To Be Published.
Page generated: Tue Jul 15 17:41:34 2025

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