Fluorine in PDB 6m11: Crystal Structure of Rnase L in Complex with Sunitinib

The structure of Crystal Structure of Rnase L in Complex with Sunitinib, PDB code: 6m11 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)	51.26 / 2.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.240, 111.000, 262.670, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 28.5

The binding sites of Fluorine atom in the Crystal Structure of Rnase L in Complex with Sunitinib (pdb code 6m11). 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 Sunitinib, PDB code: 6m11:
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 Sunitinib


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 Sunitinib within 5.0Å range: probe atom residue distance (Å) B Occ a:F1001 b:87.6 occ:1.00 F29 a:B491001 0.0 87.6 1.0 C15 a:B491001 1.3 72.0 1.0 C5 a:B491001 2.4 68.4 1.0 C7 a:B491001 2.4 69.3 1.0 N a:CYS435 2.9 71.8 1.0 CB a:ALA388 3.2 51.5 1.0 CA a:LEU434 3.3 63.5 1.0 O a:ALA433 3.3 60.1 1.0 CD1 a:LEU434 3.5 65.7 1.0 C a:LEU434 3.5 71.8 1.0 C17 a:B491001 3.6 66.9 1.0 C6 a:B491001 3.7 70.4 1.0 CA a:CYS435 4.0 71.6 1.0 O a:CYS435 4.1 68.4 1.0 C a:ALA433 4.2 63.2 1.0 CB a:CYS435 4.2 77.3 1.0 N a:LEU434 4.2 64.1 1.0 C16 a:B491001 4.2 70.7 1.0 CG a:LEU434 4.2 58.5 1.0 CB a:LEU434 4.2 64.9 1.0 CD1 a:LEU489 4.5 65.2 1.0 C a:CYS435 4.5 69.3 1.0 CA a:ALA388 4.6 52.6 1.0 SG a:CYS435 4.7 73.8 1.0 CD1 a:ILE369 4.7 63.3 1.0 O a:LEU434 4.7 95.5 1.0 N a:ALA388 4.9 53.0 1.0

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


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 Sunitinib within 5.0Å range: probe atom residue distance (Å) B Occ b:F802 b:87.9 occ:1.00 F29 b:B49802 0.0 87.9 1.0 C15 b:B49802 1.3 77.7 1.0 C7 b:B49802 2.3 74.2 1.0 C5 b:B49802 2.4 77.8 1.0 O b:ALA433 2.9 69.3 1.0 N b:CYS435 3.1 60.1 1.0 CB b:ALA388 3.2 47.2 1.0 CA b:LEU434 3.4 55.4 1.0 C17 b:B49802 3.5 84.3 1.0 C6 b:B49802 3.7 77.3 1.0 C b:LEU434 3.7 57.5 1.0 C b:ALA433 3.8 61.1 1.0 CD1 b:LEU434 4.0 52.8 1.0 N b:LEU434 4.1 57.5 1.0 CD1 b:LEU489 4.1 49.4 1.0 C16 b:B49802 4.1 84.9 1.0 CA b:CYS435 4.2 64.2 1.0 CB b:CYS435 4.3 72.6 1.0 SG b:CYS435 4.3 84.5 1.0 CB b:LEU434 4.5 54.5 1.0 CA b:ALA388 4.5 54.4 1.0 O b:CYS435 4.6 63.7 1.0 CG b:LEU434 4.7 61.4 1.0 N b:ALA388 4.8 52.5 1.0 O b:LEU434 4.9 62.2 1.0 C b:CYS435 4.9 59.0 1.0 C20 b:B49802 4.9 91.8 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