Fluorine in PDB 5ho6: Crystal Structure of Cmet in Complex with Cmpd.

All present enzymatic activity of Crystal Structure of Cmet in Complex with Cmpd.:
2.7.10.1;

The structure of Crystal Structure of Cmet in Complex with Cmpd., PDB code: 5ho6 was solved by F.Vallee, J.Houtmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.94 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.550, 46.750, 157.751, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Crystal Structure of Cmet in Complex with Cmpd. (pdb code 5ho6). 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 Cmet in Complex with Cmpd., PDB code: 5ho6:

Fluorine binding site 1 out of 1 in the Crystal Structure of Cmet in Complex with Cmpd.


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 Cmet in Complex with Cmpd. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1401 b:56.8 occ:1.00 F17 A:63K1401 0.0 56.8 1.0 C8 A:63K1401 1.4 56.2 1.0 C9 A:63K1401 2.3 54.6 1.0 C7 A:63K1401 2.4 55.3 1.0 O A:HOH1597 2.8 25.0 1.0 OD1 A:ASP1164 3.3 25.8 1.0 O A:HOH1589 3.5 21.4 1.0 C10 A:63K1401 3.6 53.0 1.0 C6 A:63K1401 3.6 52.6 1.0 C5 A:63K1401 4.1 51.9 1.0 CG A:ASP1164 4.1 16.1 1.0 OD1 A:ASN1167 4.3 17.6 1.0 CB A:ASP1164 4.4 14.6 1.0 N A:ASP1164 4.9 12.8 1.0

A.Ugolini, M.Kenigsberg, A.Rak, F.Vallee, J.Houtmann, M.Lowinski, C.Capdevila, J.Khider, E.Albert, N.Martinet, C.Nemecek, S.Grapinet, E.Bacque, M.Roesner, C.Delaisi, L.Calvet, F.Bonche, D.Semiond, C.Egile, H.Goulaouic, L.Schio. Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective Met Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]Triazolo[4, 3-B]Pyridazin-3-Ylsulfanyl]Benzothiazol-2-Yl}-3-(2-Morpholin -4-Ylethyl)Urea (SAR125844). J.Med.Chem. V. 59 7066 2016.
ISSN: ISSN 0022-2623
PubMed: 27355974
DOI: 10.1021/ACS.JMEDCHEM.6B00280