Atomistry » Fluorine » PDB 2weg-2x2f » 2wgj
Atomistry »
  Fluorine »
    PDB 2weg-2x2f »
      2wgj »

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: Sun Dec 13 11:41:04 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy