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Fluorine in PDB 2wgj: X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met

Enzymatic activity of X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met

All present enzymatic activity of X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met:
2.7.10.1;

Protein crystallography data

The structure of X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met, PDB code: 2wgj was solved by M.Mctigue, N.Grodsky, K.Ryan, M.Tran-Dube, J.J.Cui, B.Mroczkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.96 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.926, 94.192, 45.990, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 23.2

Other elements in 2wgj:

The structure of X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met (pdb code 2wgj). 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 X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met, PDB code: 2wgj:

Fluorine binding site 1 out of 1 in 2wgj

Go back to Fluorine Binding Sites List in 2wgj
Fluorine binding site 1 out of 1 in the X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of Pf-02341066 Bound to the Kinase Domain of C-Met within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2346

b:38.4
occ:1.00
F A:VGH2346 0.0 38.4 1.0
C12 A:VGH2346 1.3 38.6 1.0
C2 A:VGH2346 2.3 37.7 1.0
C18 A:VGH2346 2.4 40.4 1.0
CL2 A:VGH2346 2.8 48.0 1.0
N A:ASP1222 3.4 33.0 1.0
CB A:ALA1221 3.5 32.8 1.0
CB A:ASP1222 3.5 33.1 1.0
C3 A:VGH2346 3.6 38.2 1.0
SD A:MET1211 3.6 33.6 1.0
C17 A:VGH2346 3.7 39.2 1.0
CA A:ASN1209 3.8 26.0 1.0
CA A:ASP1222 3.8 33.3 1.0
OD1 A:ASN1209 3.9 26.7 1.0
O A:ASN1209 4.0 27.0 1.0
C A:ASN1209 4.0 26.8 1.0
C A:ALA1221 4.0 32.9 1.0
C13 A:VGH2346 4.1 38.6 1.0
O A:ARG1208 4.2 25.0 1.0
CG A:MET1211 4.2 31.8 1.0
CA A:ALA1221 4.4 32.5 1.0
CB A:ASN1209 4.4 26.4 1.0
CG A:ASP1222 4.4 33.0 1.0
CG A:ASN1209 4.5 25.5 1.0
CE A:MET1211 4.7 31.9 1.0
CD2 A:TYR1230 4.7 33.4 1.0
CE2 A:TYR1230 4.7 33.7 1.0
N A:ASN1209 4.8 25.3 1.0
N A:CYS1210 4.8 27.8 1.0
O A:ALA1221 4.9 33.0 1.0
OD1 A:ASP1222 4.9 32.4 1.0
C A:ARG1208 5.0 25.4 1.0
C21 A:VGH2346 5.0 39.1 1.0

Reference:

J.J.Cui, M.Tran-Dube, H.Shen, M.Nambu, P.P.Kung, M.Pairish, L.Jia, J.Meng, L.Funk, I.Botrous, M.Mctigue, N.Grodsky, K.Ryan, E.Padrique, G.Alton, S.Timofeevski, S.Yamazaki, Q.Li, H.Zou, J.Christensen, B.Mroczkowski, S.Bender, R.S.Kania, M.P.Edwards. Structure Based Drug Design of Crizotinib (Pf-02341066), A Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-Met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem V. 54 6342 2011.
ISSN: ISSN 0022-2623
PubMed: 21812414
DOI: 10.1021/JM2007613
Page generated: Wed Jul 31 16:25:54 2024

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