Atomistry » Fluorine » PDB 3l8v-3lxp » 3l8v
Atomistry »
  Fluorine »
    PDB 3l8v-3lxp »
      3l8v »

Fluorine in PDB 3l8v: Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor

Enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor

All present enzymatic activity of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor, PDB code: 3l8v was solved by J.Sack, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.18 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 42.800, 47.250, 154.500, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 23.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor (pdb code 3l8v). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor, PDB code: 3l8v:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 3l8v

Go back to Fluorine Binding Sites List in 3l8v
Fluorine binding site 1 out of 3 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor


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 the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:31.6
occ:1.00
F12 A:L8V1 0.0 31.6 1.0
C11 A:L8V1 1.3 28.6 1.0
C10 A:L8V1 2.3 26.4 1.0
C6 A:L8V1 2.4 26.8 1.0
O5 A:L8V1 2.8 25.6 1.0
CG2 A:VAL1092 3.2 43.9 1.0
CG1 A:VAL1092 3.2 43.8 1.0
C4 A:L8V1 3.6 23.7 1.0
C9 A:L8V1 3.6 25.1 1.0
C7 A:L8V1 3.6 24.7 1.0
CB A:LYS1110 3.9 37.6 1.0
CB A:VAL1092 3.9 44.4 1.0
C31 A:L8V1 3.9 22.3 1.0
CD1 A:LEU1157 4.0 30.4 1.0
C8 A:L8V1 4.1 23.2 1.0
CB A:ALA1108 4.3 25.4 1.0
CG A:LYS1110 4.3 37.9 1.0
N A:LYS1110 4.6 35.2 1.0
CA A:LYS1110 4.6 36.1 1.0
CD A:LYS1110 4.6 43.9 1.0
C3 A:L8V1 4.7 22.9 1.0
N13 A:L8V1 4.7 28.4 1.0
CG A:LEU1157 4.8 29.1 1.0
N19 A:L8V1 4.8 32.5 1.0
C A:ALA1108 5.0 30.9 1.0
CE2 A:PHE1223 5.0 42.0 1.0
CA A:VAL1092 5.0 41.6 1.0

Fluorine binding site 2 out of 3 in 3l8v

Go back to Fluorine Binding Sites List in 3l8v
Fluorine binding site 2 out of 3 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:29.7
occ:1.00
F29 A:L8V1 0.0 29.7 1.0
C26 A:L8V1 1.3 26.7 1.0
C27 A:L8V1 2.3 25.9 1.0
C25 A:L8V1 2.4 25.0 1.0
CD1 A:LEU1195 3.1 19.7 1.0
CD2 A:HIS1202 3.3 21.0 1.0
C28 A:L8V1 3.6 28.1 1.0
CG1 A:VAL1220 3.6 16.9 1.0
C24 A:L8V1 3.7 23.3 1.0
NE2 A:HIS1202 3.7 21.1 1.0
CE2 A:PHE1200 3.8 25.6 1.0
CD2 A:LEU1195 4.1 22.4 1.0
C23 A:L8V1 4.1 26.6 1.0
CG A:LEU1195 4.2 20.1 1.0
CE2 A:PHE1134 4.2 38.1 1.0
O A:VAL1220 4.2 18.6 1.0
CG A:HIS1202 4.4 19.4 1.0
CD2 A:PHE1200 4.4 23.3 1.0
C A:VAL1220 4.5 18.4 1.0
CG1 A:VAL1139 4.5 19.5 1.0
CB A:VAL1220 4.6 17.2 1.0
F32 A:L8V1 4.6 30.9 1.0
CA A:ALA1221 4.7 17.5 1.0
N A:ALA1221 4.7 16.2 1.0
O A:ALA1221 4.7 22.2 1.0
CD2 A:PHE1134 4.7 35.7 1.0
CZ A:PHE1200 4.7 24.5 1.0
C A:ALA1221 4.8 22.8 1.0
CZ A:PHE1134 4.8 36.0 1.0
CE1 A:HIS1202 4.9 20.9 1.0

Fluorine binding site 3 out of 3 in 3l8v

Go back to Fluorine Binding Sites List in 3l8v
Fluorine binding site 3 out of 3 in the Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Tyrosine Kinase Domain of the Hepatocyte Growth Factor Receptor C-Met in Complex with A Biarylamine Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:30.9
occ:1.00
F32 A:L8V1 0.0 30.9 1.0
C28 A:L8V1 1.3 28.1 1.0
C27 A:L8V1 2.3 25.9 1.0
C23 A:L8V1 2.4 26.6 1.0
N22 A:L8V1 2.8 26.8 1.0
CB A:ASP1222 2.9 24.0 1.0
O A:HOH40 3.2 30.5 1.0
C26 A:L8V1 3.6 26.7 1.0
C20 A:L8V1 3.7 29.8 1.0
C24 A:L8V1 3.7 23.3 1.0
CG A:ASP1222 3.8 32.0 1.0
OD2 A:ASP1222 3.9 38.8 1.0
CA A:ASP1222 4.0 22.7 1.0
N A:ASP1222 4.1 21.5 1.0
O21 A:L8V1 4.1 29.8 1.0
C25 A:L8V1 4.1 25.0 1.0
O A:HOH53 4.2 38.4 1.0
O A:ASP1222 4.5 28.5 1.0
CZ A:PHE1200 4.6 24.5 1.0
C15 A:L8V1 4.6 30.7 1.0
F29 A:L8V1 4.6 29.7 1.0
C A:ALA1221 4.7 22.8 1.0
C A:ASP1222 4.7 30.0 1.0
C16 A:L8V1 4.8 28.3 1.0
CE2 A:PHE1200 4.9 25.6 1.0
OD1 A:ASP1222 5.0 32.1 1.0

Reference:

D.K.Williams, X.T.Chen, C.Tarby, R.Kaltenbach, Z.W.Cai, J.S.Tokarski, Y.An, J.S.Sack, B.Wautlet, J.Gullo-Brown, B.J.Henley, R.Jeyaseelan, K.Kellar, V.Manne, G.L.Trainor, L.J.Lombardo, J.Fargnoli, R.M.Borzilleri. Design, Synthesis and Structure-Activity Relationships of Novel Biarylamine-Based Met Kinase Inhibitors. Bioorg.Med.Chem.Lett. V. 20 2998 2010.
ISSN: ISSN 0960-894X
PubMed: 20382527
DOI: 10.1016/J.BMCL.2010.01.042
Page generated: Sun Dec 13 11:50:11 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