Fluorine in PDB 7aym: Structure of DDR2 Kinase Domain in Complex with IBZ3

Enzymatic activity of Structure of DDR2 Kinase Domain in Complex with IBZ3

All present enzymatic activity of Structure of DDR2 Kinase Domain in Complex with IBZ3:
2.7.10.1;

Protein crystallography data

The structure of Structure of DDR2 Kinase Domain in Complex with IBZ3, PDB code: 7aym was solved by A.Nawrotek, A.Talagas, L.M.Vuillard, L.Miallau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.78 / 2.12
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.750, 85.355, 89.541, 90.00, 90.00, 90.00
R / Rfree (%) 23.6 / 28.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of DDR2 Kinase Domain in Complex with IBZ3 (pdb code 7aym). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of DDR2 Kinase Domain in Complex with IBZ3, PDB code: 7aym:

Fluorine binding site 1 out of 1 in 7aym

Go back to Fluorine Binding Sites List in 7aym
Fluorine binding site 1 out of 1 in the Structure of DDR2 Kinase Domain in Complex with IBZ3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of DDR2 Kinase Domain in Complex with IBZ3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F901

b:47.4
occ:1.00
F16 A:4VD901 0.0 47.4 1.0
C15 A:4VD901 1.4 51.0 1.0
C17 A:4VD901 2.3 54.4 1.0
C14 A:4VD901 2.3 54.4 1.0
H44 A:4VD901 2.5 54.5 1.0
H43 A:4VD901 2.6 54.5 1.0
C13 A:4VD901 3.6 54.4 1.0
C11 A:4VD901 3.6 54.0 1.0
CD2 A:HIS717 3.6 22.0 1.0
CD1 A:LEU710 3.9 20.5 1.0
O A:ILE735 3.9 14.9 1.0
NE2 A:HIS717 3.9 21.6 1.0
CD2 A:LEU710 4.0 24.9 1.0
CD1 A:ILE637 4.0 19.1 1.0
C12 A:4VD901 4.1 54.4 1.0
C A:ILE735 4.3 13.5 1.0
CG2 A:ILE637 4.3 15.2 1.0
O A:ALA736 4.4 13.2 1.0
CG2 A:ILE735 4.4 12.9 1.0
CG A:LEU710 4.5 21.0 1.0
H42 A:4VD901 4.5 54.5 1.0
C A:ALA736 4.5 13.9 1.0
CA A:ALA736 4.6 7.3 1.0
N A:ALA736 4.6 7.9 1.0
CB A:ILE735 4.6 14.1 1.0
H40 A:4VD901 4.6 54.5 1.0
N10 A:4VD901 4.7 54.4 1.0
CG A:HIS717 4.8 20.4 1.0
CD2 A:LEU632 4.9 23.9 1.0
CD1 A:LEU632 4.9 21.7 1.0

Reference:

A.Nawrotek, A.Talagas, L.M.Vuillard, L.Miallau. Structure of DDR2 Kinase Domain in Complex with IBZ3 To Be Published.
Page generated: Thu Dec 17 11:18:13 2020

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