Fluorine in PDB 7cqe: Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762, PDB code: 7cqe was solved by T.H.Park, B.I.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.53 / 2.69
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 116.118, 69.203, 92.606, 90.00, 118.42, 90.00
R / Rfree (%) 19.7 / 25.9

Other elements in 7cqe:

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762 also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762 (pdb code 7cqe). 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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762, PDB code: 7cqe:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7cqe

Go back to Fluorine Binding Sites List in 7cqe
Fluorine binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762


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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F906

b:43.7
occ:1.00
 F1 A:YDJ906 0.0 43.7 1.0
C5 A:YDJ906 1.3 39.4 1.0
C4 A:YDJ906 2.2 36.4 1.0
C6 A:YDJ906 2.3 38.0 1.0
C3 A:YDJ906 3.5 33.3 1.0
C1 A:YDJ906 3.5 36.2 1.0
C2 A:YDJ906 3.9 35.5 1.0
O A:LEU593 4.0 52.1 1.0
C7 A:YDJ906 4.6 32.8 1.0
CD2 A:LEU593 4.7 47.8 1.0
C A:LEU593 4.9 53.4 1.0
CA A:LEU593 5.0 47.0 1.0

Fluorine binding site 2 out of 2 in 7cqe

Go back to Fluorine Binding Sites List in 7cqe
Fluorine binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762


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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Azd-7762 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F902

b:42.1
occ:1.00
 F1 C:YDJ902 0.0 42.1 1.0
C5 C:YDJ902 1.4 42.2 1.0
C6 C:YDJ902 2.4 41.8 1.0
C4 C:YDJ902 2.4 41.1 1.0
C1 C:YDJ902 3.6 42.2 1.0
C3 C:YDJ902 3.7 39.0 1.0
C2 C:YDJ902 4.1 41.9 1.0
C7 C:YDJ902 4.8 39.3 1.0
C C:LEU593 4.9 47.9 1.0

Reference:

T.H.Park, S.H.Bae, S.M.Bong, S.E.Ryu, H.Jang, B.I.Lee. Crystal Structure of the Kinase Domain of Mertk in Complex with AZD7762 Provides Clues For Structure-Based Drug Development. Int J Mol Sci V. 21 2020.
ISSN: ESSN 1422-0067
PubMed: 33114206
DOI: 10.3390/IJMS21217878
Page generated: Sun Dec 13 13:53:38 2020

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