Fluorine in PDB 1o47: Crystal Structure of SH2 in Complex with RU82209.

All present enzymatic activity of Crystal Structure of SH2 in Complex with RU82209.:
2.7.1.112;

The structure of Crystal Structure of SH2 in Complex with RU82209., PDB code: 1o47 was solved by G.Lange, P.Loenze, A.Liesum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.588, 59.021, 65.057, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / n/a

The binding sites of Fluorine atom in the Crystal Structure of SH2 in Complex with RU82209. (pdb code 1o47). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of SH2 in Complex with RU82209., PDB code: 1o47:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of SH2 in Complex with RU82209.


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 SH2 in Complex with RU82209. within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:24.1 occ:1.00 F12 A:822300 0.0 24.1 1.0 C11 A:822300 1.4 24.5 1.0 F13 A:822300 2.2 25.1 1.0 C4 A:822300 2.4 22.1 1.0 P14 A:822300 2.7 25.4 1.0 C5 A:822300 2.8 19.0 1.0 O15 A:822300 3.0 27.3 1.0 CB A:CYS44 3.1 9.3 1.0 O17 A:822300 3.4 24.9 1.0 C3 A:822300 3.7 22.0 1.0 SG A:CYS44 3.8 12.6 1.0 CB A:SER36 3.8 18.9 1.0 CA A:SER36 3.8 17.7 1.0 OG A:SER36 3.8 20.2 1.0 O16 A:822300 3.9 26.9 1.0 CA A:CYS44 4.1 9.8 1.0 O A:TYR43 4.1 10.3 1.0 C6 A:822300 4.2 17.7 1.0 NH2 A:ARG34 4.2 11.2 1.0 NH1 A:ARG34 4.4 10.2 1.0 C A:TYR43 4.4 11.7 1.0 N A:CYS44 4.4 10.8 1.0 CZ A:ARG34 4.6 13.0 1.0 CG A:LYS62 4.7 15.4 1.0 N A:GLU37 4.7 19.5 1.0 N A:SER36 4.8 16.2 1.0 C2 A:822300 4.8 19.3 1.0 CB A:LYS62 4.8 11.1 1.0 CA A:LYS62 4.8 8.8 1.0 C A:SER36 4.8 18.7 1.0 C1 A:822300 5.0 18.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of SH2 in Complex with RU82209.


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 SH2 in Complex with RU82209. within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:25.1 occ:1.00 F13 A:822300 0.0 25.1 1.0 C11 A:822300 1.4 24.5 1.0 F12 A:822300 2.2 24.1 1.0 C4 A:822300 2.4 22.1 1.0 P14 A:822300 2.5 25.4 1.0 OG A:SER36 2.8 20.2 1.0 O16 A:822300 2.8 26.9 1.0 C3 A:822300 2.8 22.0 1.0 O15 A:822300 3.1 27.3 1.0 CB A:SER36 3.6 18.9 1.0 C5 A:822300 3.6 19.0 1.0 O17 A:822300 3.9 24.9 1.0 CA A:SER36 4.2 17.7 1.0 C2 A:822300 4.2 19.3 1.0 OG1 A:THR38 4.3 36.5 1.0 CE A:LYS62 4.3 24.9 1.0 CD A:LYS62 4.4 20.6 1.0 NZ A:LYS62 4.4 29.4 1.0 OG1 A:THR39 4.5 32.6 1.0 N A:GLU37 4.5 19.5 1.0 CG A:LYS62 4.6 15.4 1.0 C6 A:822300 4.8 17.7 1.0 C A:SER36 4.8 18.7 1.0 N A:THR38 4.9 30.1 1.0 N A:THR39 4.9 32.9 1.0

G.Lange, D.Lesuisse, P.Deprez, B.Schoot, P.Loenze, D.Benard, J.P.Marquette, P.Broto, E.Sarubbi, E.Mandine. Requirements For Specific Binding of Low Affinity Inhibitor Fragments to the SH2 Domain of (PP60)Src Are Identical to Those For High Affinity Binding of Full Length Inhibitors. J.Med.Chem. V. 46 5184 2003.
ISSN: ISSN 0022-2623
PubMed: 14613321
DOI: 10.1021/JM020970S