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

Protein crystallography data

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

Fluorine Binding Sites:

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 6m11

Go back to Fluorine Binding Sites List in 6m11
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 6m11

Go back to Fluorine Binding Sites List in 6m11
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

Reference:

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
Page generated: Sun Dec 13 12:57:33 2020

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