Fluorine in PDB 5jog: Crystal Structure of CSN5(2-257) in Complex with CNS5I-3

The structure of Crystal Structure of CSN5(2-257) in Complex with CNS5I-3, PDB code: 5jog was solved by M.Renatus, C.Wiesmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.81 / 2.46
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	101.363, 101.363, 68.602, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 24.3

The structure of Crystal Structure of CSN5(2-257) in Complex with CNS5I-3 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of CSN5(2-257) in Complex with CNS5I-3 (pdb code 5jog). 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 CSN5(2-257) in Complex with CNS5I-3, PDB code: 5jog:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of CSN5(2-257) in Complex with CNS5I-3


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 CSN5(2-257) in Complex with CNS5I-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:0.0 occ:1.00 F36 A:6LT302 0.0 0.0 1.0 C33 A:6LT302 1.4 0.7 1.0 F37 A:6LT302 2.3 1.0 1.0 C29 A:6LT302 2.4 0.9 1.0 N30 A:6LT302 2.7 99.1 1.0 OD1 A:ASN158 3.3 57.3 1.0 C28 A:6LT302 3.8 98.0 1.0 N31 A:6LT302 4.1 93.3 1.0 CG A:ASN158 4.5 68.1 1.0 CD2 A:LEU157 4.5 75.0 1.0 C26 A:6LT302 4.5 93.4 1.0 CG A:LEU157 4.8 71.6 1.0 CB A:LEU157 4.9 66.1 1.0 C34 A:6LT302 4.9 81.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of CSN5(2-257) in Complex with CNS5I-3


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 CSN5(2-257) in Complex with CNS5I-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:1.0 occ:1.00 F37 A:6LT302 0.0 1.0 1.0 C33 A:6LT302 1.4 0.7 1.0 F36 A:6LT302 2.3 0.0 1.0 C29 A:6LT302 2.3 0.9 1.0 C28 A:6LT302 3.1 98.0 1.0 N30 A:6LT302 3.4 99.1 1.0 CD2 A:LEU157 3.4 75.0 1.0 CB A:LEU157 4.0 66.1 1.0 O A:HOH425 4.0 78.5 1.0 CG A:LEU157 4.1 71.6 1.0 CG2 A:THR154 4.2 66.8 1.0 O A:THR154 4.2 71.6 1.0 C26 A:6LT302 4.2 93.4 1.0 CA A:THR154 4.3 69.1 1.0 N31 A:6LT302 4.4 93.3 1.0 OD1 A:ASN158 4.4 57.3 1.0 CB A:THR154 4.6 71.9 1.0 OG1 A:THR154 4.7 70.7 1.0 C A:THR154 4.8 71.6 1.0

A.Schlierf, E.Altmann, J.Quancard, A.B.Jefferson, R.Assenberg, M.Renatus, M.Jones, U.Hassiepen, M.Schaefer, M.Kiffe, A.Weiss, C.Wiesmann, R.Sedrani, J.Eder, B.Martoglio. Targeted Inhibition of the COP9 Signalosome For Treatment of Cancer. Nat Commun V. 7 13166 2016.
ISSN: ESSN 2041-1723
PubMed: 27774986
DOI: 10.1038/NCOMMS13166