Atomistry » Fluorine » PDB 4xyf-4ymo » 4xyf
Atomistry »
  Fluorine »
    PDB 4xyf-4ymo »
      4xyf »

Fluorine in PDB 4xyf: Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole

Enzymatic activity of Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole

All present enzymatic activity of Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole, PDB code: 4xyf was solved by D.A.Whittington, A.M.Long, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.85
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 41.893, 43.406, 157.978, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 23.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole (pdb code 4xyf). 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 Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole, PDB code: 4xyf:

Fluorine binding site 1 out of 1 in 4xyf

Go back to Fluorine Binding Sites List in 4xyf
Fluorine binding site 1 out of 1 in the Crystal Structure of C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole


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 C-Met in Complex with (S)-5-(8-Fluoro-3-(1-(3-(2- Methoxyethoxy)Quinolin-6-Yl)Ethyl)-[1,2,4]Triazolo[4,3-A]Pyridin-6- Yl)-3-Methylisoxazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1401

b:23.3
occ:1.00
 F1 A:44X1401 0.0 23.3 1.0
C17 A:44X1401 1.3 24.8 1.0
C13 A:44X1401 2.4 25.9 1.0
C16 A:44X1401 2.4 24.3 1.0
N3 A:44X1401 3.0 26.8 1.0
CB A:ASP1222 3.1 24.2 1.0
CA A:ASN1209 3.1 20.0 1.0
C A:ASN1209 3.1 20.1 1.0
O A:ASN1209 3.1 20.2 1.0
CB A:ALA1221 3.2 20.8 1.0
N A:ASP1222 3.2 22.9 1.0
N2 A:44X1401 3.6 25.3 1.0
C15 A:44X1401 3.7 26.5 1.0
C A:ALA1221 3.7 21.6 1.0
CA A:ASP1222 3.7 23.4 1.0
CB A:ASN1209 3.8 19.2 1.0
OD1 A:ASN1209 3.8 20.2 1.0
N A:CYS1210 3.9 21.1 1.0
O A:ARG1208 3.9 23.0 1.0
CA A:ALA1221 4.0 21.6 1.0
C14 A:44X1401 4.2 25.1 1.0
N4 A:44X1401 4.2 25.7 1.0
CG A:MET1211 4.2 29.3 1.0
N A:ASN1209 4.3 19.7 1.0
CG A:ASN1209 4.3 19.6 1.0
CG A:ASP1222 4.3 30.9 1.0
O A:ALA1221 4.4 20.4 1.0
CE2 A:TYR1230 4.5 27.2 1.0
CD2 A:TYR1230 4.5 27.0 1.0
C11 A:44X1401 4.5 24.4 1.0
C A:ARG1208 4.5 19.4 1.0
N A:ALA1221 4.6 23.1 1.0
SD A:MET1211 4.6 38.0 1.0
CA A:CYS1210 4.6 21.0 1.0
C A:CYS1210 4.8 21.7 1.0
C18 A:44X1401 4.8 27.4 1.0
OD1 A:ASP1222 4.9 28.2 1.0
O A:CYS1210 5.0 22.2 1.0

Reference:

E.A.Peterson, Y.Teffera, B.Albecht, D.Bauer, S.Bellon, A.A.Boezio, C.Boezio, M.Broome, D.Choquette, K.W.Copeland, I.Dussault, R.T.Lewis, J.Lin, J.Lohman, J.Liu, M.Potashman, K.Rex, R.Shimanovich, D.A.Whittington, K.Vaida, J.C.Harmange. Discovery of Potent and Selective 8-Fluorotriazolopyridine C-Met Inhibitors. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25699405
DOI: 10.1021/JM501913A
Page generated: Thu Aug 1 06:52:57 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy