Fluorine in PDB 6m13: Crystal Structure of Rnase L in Complex with Toceranib

The structure of Crystal Structure of Rnase L in Complex with Toceranib, PDB code: 6m13 was solved by J.Tang, H.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.02 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.450, 111.360, 263.860, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 28.6

The binding sites of Fluorine atom in the Crystal Structure of Rnase L in Complex with Toceranib (pdb code 6m13). 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 Rnase L in Complex with Toceranib, PDB code: 6m13:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Rnase L in Complex with Toceranib


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 Rnase L in Complex with Toceranib within 5.0Å range: probe atom residue distance (Å) B Occ a:F801 b:0.5 occ:1.00 FAG a:BWC801 0.0 0.5 1.0 CAA a:BWC801 1.4 91.0 1.0 CAB a:BWC801 2.4 85.8 1.0 CAF a:BWC801 2.4 86.8 1.0 N a:CYS435 2.9 74.3 1.0 O a:ALA433 3.2 79.2 1.0 CA a:LEU434 3.4 80.3 1.0 CB a:ALA388 3.5 62.2 1.0 C a:LEU434 3.6 80.0 1.0 CAE a:BWC801 3.7 96.6 1.0 CAC a:BWC801 3.7 89.9 1.0 CD1 a:LEU434 3.8 69.2 1.0 CA a:CYS435 4.0 78.7 1.0 CB a:CYS435 4.0 80.4 1.0 C a:ALA433 4.1 79.2 1.0 O a:CYS435 4.1 86.2 1.0 CD1 a:LEU489 4.1 77.2 1.0 CAD a:BWC801 4.2 94.2 1.0 N a:LEU434 4.2 79.7 1.0 SG a:CYS435 4.4 78.2 1.0 CB a:LEU434 4.4 78.5 1.0 C a:CYS435 4.5 86.7 1.0 CG a:LEU434 4.5 74.8 1.0 O a:LEU434 4.8 0.4 1.0 CA a:ALA388 4.8 60.2 1.0 CAJ a:BWC801 4.9 98.8 1.0 CD1 a:ILE369 5.0 71.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Rnase L in Complex with Toceranib


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 Rnase L in Complex with Toceranib within 5.0Å range: probe atom residue distance (Å) B Occ b:F901 b:0.1 occ:1.00 FAG b:BWC901 0.0 0.1 1.0 CAA b:BWC901 1.4 99.4 1.0 CAB b:BWC901 2.4 95.9 1.0 CAF b:BWC901 2.4 0.9 1.0 O b:ALA433 2.9 80.3 1.0 CB b:ALA388 3.2 60.2 1.0 N b:CYS435 3.2 59.4 1.0 CA b:LEU434 3.5 62.0 1.0 CAE b:BWC901 3.7 0.5 1.0 CAC b:BWC901 3.7 0.1 1.0 C b:LEU434 3.8 60.1 1.0 CD1 b:LEU434 3.8 70.3 1.0 C b:ALA433 3.9 68.3 1.0 CAD b:BWC901 4.1 0.8 1.0 N b:LEU434 4.2 72.8 1.0 CD1 b:LEU489 4.2 59.5 1.0 CB b:CYS435 4.2 72.4 1.0 CA b:CYS435 4.3 58.3 1.0 SG b:CYS435 4.4 73.0 1.0 O b:CYS435 4.5 53.0 1.0 CA b:ALA388 4.5 54.8 1.0 CB b:LEU434 4.6 65.8 1.0 CG b:LEU434 4.7 70.9 1.0 N b:ALA388 4.8 63.9 1.0 C b:CYS435 4.9 51.6 1.0 CAJ b:BWC901 4.9 1.0 1.0 O b:LEU434 5.0 63.5 1.0

J.Tang, Y.Wang, H.Zhou, Y.Ye, M.Talukdar, Z.Fu, Z.Liu, J.Li, D.Neculai, J.Gao, H.Huang. Sunitinib Inhibits Rnase L By Destabilizing Its Active Dimer Conformation. Biochem.J. V. 477 3387 2020.
ISSN: ESSN 1470-8728
PubMed: 32830849
DOI: 10.1042/BCJ20200260