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Fluorine in PDB 4ans: Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib

Enzymatic activity of Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib

All present enzymatic activity of Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib:
2.7.10.1;

Protein crystallography data

The structure of Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib, PDB code: 4ans was solved by M.Mctigue, Y.Deng, W.Liu, A.Brooun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.53 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.516, 57.399, 105.067, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 23.1

Other elements in 4ans:

The structure of Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib (pdb code 4ans). 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 L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib, PDB code: 4ans:

Fluorine binding site 1 out of 1 in 4ans

Go back to Fluorine Binding Sites List in 4ans
Fluorine binding site 1 out of 1 in the Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F9000

b:37.3
occ:1.00
 F A:VGH9000 0.0 37.3 1.0
C12 A:VGH9000 1.3 37.0 1.0
C2 A:VGH9000 2.4 35.1 1.0
C18 A:VGH9000 2.4 36.9 1.0
CL2 A:VGH9000 3.0 49.4 1.0
CB A:ALA1269 3.2 24.9 1.0
O A:ASN1254 3.5 20.6 1.0
C A:ASN1254 3.6 20.5 1.0
N A:ASP1270 3.6 25.4 1.0
CB A:ASP1270 3.6 27.3 1.0
C3 A:VGH9000 3.7 34.7 1.0
C17 A:VGH9000 3.8 34.6 1.0
CA A:ASN1254 3.8 21.4 1.0
CG A:LEU1256 3.8 22.5 1.0
O A:ARG1253 3.9 21.2 1.0
C A:ALA1269 3.9 26.2 1.0
CA A:ALA1269 4.1 23.3 1.0
CD2 A:LEU1256 4.1 22.5 1.0
CA A:ASP1270 4.1 26.0 1.0
N A:CYS1255 4.2 19.8 1.0
C13 A:VGH9000 4.2 34.4 1.0
CD1 A:LEU1256 4.2 24.8 1.0
C A:CYS1255 4.6 21.9 1.0
O A:CYS1255 4.6 20.1 1.0
N A:ALA1269 4.7 19.7 1.0
O A:ALA1269 4.7 29.7 1.0
O A:HOH2120 4.7 48.3 1.0
N A:ASN1254 4.7 20.1 1.0
C A:ARG1253 4.7 21.2 1.0
CA A:CYS1255 4.7 20.8 1.0
CB A:ASN1254 4.8 21.0 1.0
CG A:ASP1270 4.8 34.6 1.0
OD2 A:ASP1270 4.8 38.1 1.0
OD1 A:ASN1254 4.9 22.6 1.0
N A:LEU1256 4.9 20.2 1.0

Reference:

M.Mctigue, Y.Deng, W.Liu, A.Brooun. Structure of L1196M,G1269A Double Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib To Be Published.
Page generated: Thu Aug 1 00:02:14 2024

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