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: Wed Jul 31 16:25:54 2024

Last articles

Ca in 5SSZ
Ca in 5SSY
Ca in 5SIC
Ca in 5SBD
Ca in 5SBE
Ca in 5SBC
Ca in 5SBB
Ca in 5SBA
Ca in 5SB7
Ca in 5SB9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy