Fluorine in PDB 2rfn: X-Ray Structure of C-Met with Inhibitor.

All present enzymatic activity of X-Ray Structure of C-Met with Inhibitor.:
2.7.10.1;

The structure of X-Ray Structure of C-Met with Inhibitor., PDB code: 2rfn was solved by S.F.Bellon, P.Kaplan-Lefko, Y.Yang, Y.Zhang, J.Moriguchi, I.Dussault, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.509, 78.919, 129.128, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 29.4

The binding sites of Fluorine atom in the X-Ray Structure of C-Met with Inhibitor. (pdb code 2rfn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Structure of C-Met with Inhibitor., PDB code: 2rfn:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Structure of C-Met with Inhibitor.


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 C-Met with Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:35.7 occ:1.00 F1 A:AM71 0.0 35.7 1.0 C16 A:AM71 1.3 34.4 1.0 C17 A:AM71 2.3 33.1 1.0 C15 A:AM71 2.4 34.3 1.0 O4 A:AM71 2.7 33.5 1.0 CG1 A:VAL1092 3.4 50.2 1.0 CG2 A:VAL1092 3.5 51.1 1.0 C29 A:AM71 3.5 32.9 1.0 C18 A:AM71 3.6 35.1 1.0 C20 A:AM71 3.6 33.8 1.0 CB A:LYS1110 3.6 44.9 1.0 CD1 A:LEU1157 3.6 41.6 1.0 C28 A:AM71 4.0 33.4 1.0 CB A:VAL1092 4.1 51.3 1.0 C19 A:AM71 4.1 34.7 1.0 CD A:LYS1110 4.1 46.1 1.0 CG A:LYS1110 4.3 45.6 1.0 CD2 A:PHE1089 4.4 58.1 1.0 CG A:PHE1089 4.5 58.2 1.0 C21 A:AM71 4.6 32.4 1.0 CB A:PHE1089 4.6 58.1 1.0 O5 A:AM71 4.7 36.6 1.0 CA A:LYS1110 4.7 45.3 1.0 N A:LYS1110 4.7 44.5 1.0 C11 A:AM71 4.8 35.5 1.0 CB A:ALA1108 4.8 45.2 1.0 C22 A:AM71 4.9 32.5 1.0

Fluorine binding site 2 out of 2 in the X-Ray Structure of C-Met with Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of C-Met with Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:F1 b:38.0 occ:1.00 F1 B:AM71 0.0 38.0 1.0 C16 B:AM71 1.3 37.9 1.0 C15 B:AM71 2.4 37.9 1.0 C17 B:AM71 2.4 38.3 1.0 O4 B:AM71 2.7 36.8 1.0 CG1 B:VAL1092 3.1 50.0 1.0 C29 B:AM71 3.5 36.1 1.0 CG2 B:VAL1092 3.6 51.0 1.0 C20 B:AM71 3.6 37.4 1.0 C18 B:AM71 3.6 38.4 1.0 CB B:LYS1110 3.7 46.0 1.0 CD B:LYS1110 3.8 48.2 1.0 C28 B:AM71 3.9 36.1 1.0 CB B:VAL1092 4.0 51.0 1.0 CD1 B:LEU1157 4.0 43.9 1.0 C19 B:AM71 4.1 38.1 1.0 CB B:PHE1089 4.3 58.1 1.0 CG B:LYS1110 4.3 46.8 1.0 CG B:PHE1089 4.3 58.2 1.0 C21 B:AM71 4.4 36.2 1.0 CD2 B:PHE1089 4.5 58.3 1.0 O5 B:AM71 4.6 41.4 1.0 C22 B:AM71 4.8 35.6 1.0 CA B:LYS1110 4.8 46.0 1.0 C11 B:AM71 4.8 38.6 1.0 N B:LYS1110 4.8 45.3 1.0 CB B:ALA1108 4.8 46.0 1.0 CD1 B:PHE1089 4.9 58.1 1.0 CA B:VAL1092 4.9 51.0 1.0

S.F.Bellon, P.Kaplan-Lefko, Y.Yang, Y.Zhang, J.Moriguchi, K.Rex, C.W.Johnson, P.E.Rose, A.M.Long, A.B.O'connor, Y.Gu, A.Coxon, T.S.Kim, A.Tasker, T.L.Burgess, I.Dussault. C-Met Inhibitors with Novel Binding Mode Show Activity Against Several Hereditary Papillary Renal Cell Carcinoma-Related Mutations. J.Biol.Chem. V. 283 2675 2008.
ISSN: ISSN 0021-9258
PubMed: 18055465
DOI: 10.1074/JBC.M705774200