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Fluorine in PDB 3a4p: Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor

Enzymatic activity of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor

All present enzymatic activity of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor:
2.7.10.1;

Protein crystallography data

The structure of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor, PDB code: 3a4p was solved by T.A.Fukami, S.Kadono, M.Yamamuro, T.Matsuura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.86 / 2.54
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.227, 42.733, 46.039, 90.00, 102.91, 90.00
R / Rfree (%) 18.3 / 24

Other elements in 3a4p:

The structure of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor (pdb code 3a4p). 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 Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor, PDB code: 3a4p:

Fluorine binding site 1 out of 1 in 3a4p

Go back to Fluorine Binding Sites List in 3a4p
Fluorine binding site 1 out of 1 in the Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human C-Met Kinase Domain Complexed with 6-Benzyloxyquinoline Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1362

b:38.0
occ:1.00
 F25 A:DFQ1362 0.0 38.0 1.0
C24 A:DFQ1362 1.4 36.5 1.0
C26 A:DFQ1362 2.3 35.1 1.0
C22 A:DFQ1362 2.4 35.8 1.0
CL23 A:DFQ1362 2.9 42.2 1.0
CB A:ALA1221 3.2 10.6 1.0
N A:ASP1222 3.6 13.6 1.0
CB A:ASP1222 3.6 15.4 1.0
C27 A:DFQ1362 3.6 32.9 1.0
O A:ASN1209 3.6 12.1 1.0
CA A:ASN1209 3.7 12.2 1.0
C21 A:DFQ1362 3.7 33.8 1.0
C A:ASN1209 3.8 12.7 1.0
CA A:ASP1222 4.0 15.8 1.0
C A:ALA1221 4.1 12.5 1.0
C28 A:DFQ1362 4.1 31.6 1.0
OD1 A:ASN1209 4.1 12.1 1.0
CB A:ASN1209 4.3 12.1 1.0
CA A:ALA1221 4.3 11.2 1.0
O A:ARG1208 4.3 11.9 1.0
SD A:MET1211 4.3 22.2 1.0
CG A:MET1211 4.5 14.5 1.0
CG A:ASN1209 4.6 12.7 1.0
N A:CYS1210 4.7 12.1 1.0
CG A:ASP1222 4.7 17.9 1.0
O A:ALA1221 4.8 12.0 1.0
N A:ASN1209 4.8 11.6 1.0
OD1 A:ASP1222 5.0 18.2 1.0

Reference:

H.Nishii, T.Chiba, K.Morikami, T.A.Fukami, H.Sakamoto, K.Ko, H.Koyano. Discovery of 6-Benzyloxyquinolines As C-Met Selective Kinase Inhibitors Bioorg.Med.Chem.Lett. V. 20 1405 2010.
ISSN: ISSN 0960-894X
PubMed: 20093027
DOI: 10.1016/J.BMCL.2009.12.109
Page generated: Wed Jul 31 17:04:16 2024

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