Fluorine in PDB 8hq4: B27 in Complex with CRM1-Ran-RANBP1

The structure of B27 in Complex with CRM1-Ran-RANBP1, PDB code: 8hq4 was solved by Y.Lei, Q.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.06 / 2.12
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.08, 106.08, 304, 90, 90, 90
R / Rfree (%)	18.7 / 21

The structure of B27 in Complex with CRM1-Ran-RANBP1 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Magnesium	(Mg)	1 atom

The binding sites of Fluorine atom in the B27 in Complex with CRM1-Ran-RANBP1 (pdb code 8hq4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the B27 in Complex with CRM1-Ran-RANBP1, PDB code: 8hq4:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the B27 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of B27 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1110 b:81.0 occ:1.00 F35 C:M9R1110 0.0 81.0 1.0 C07 C:M9R1110 1.3 80.6 1.0 F34 C:M9R1110 2.1 84.9 1.0 F33 C:M9R1110 2.1 80.7 1.0 C05 C:M9R1110 2.3 75.8 1.0 C06 C:M9R1110 2.7 75.7 1.0 C04 C:M9R1110 3.5 75.1 1.0 CG1 C:VAL576 3.9 49.2 1.0 CG2 C:ILE555 3.9 51.6 1.0 CG2 C:VAL559 4.0 48.7 1.0 C01 C:M9R1110 4.1 76.5 1.0 CG2 C:VAL576 4.1 51.5 1.0 CB C:VAL559 4.2 48.0 1.0 CG1 C:VAL559 4.3 50.7 1.0 CB C:VAL576 4.4 49.9 1.0 CA C:MET556 4.4 47.8 1.0 O C:ILE555 4.6 47.4 1.0 CA C:VAL576 4.6 50.4 1.0 CG C:MET556 4.6 50.5 1.0 N C:MET556 4.6 47.5 1.0 C03 C:M9R1110 4.6 75.5 1.0 C C:ILE555 4.7 48.8 1.0 C02 C:M9R1110 4.9 75.5 1.0 O C:VAL576 4.9 47.0 1.0 CD2 C:LEU580 4.9 49.9 1.0 C13 C:M9R1110 4.9 85.6 1.0 CB C:ILE555 5.0 49.9 1.0 N08 C:M9R1110 5.0 81.3 1.0

Fluorine binding site 2 out of 4 in the B27 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of B27 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1110 b:80.7 occ:1.00 F33 C:M9R1110 0.0 80.7 1.0 C07 C:M9R1110 1.3 80.6 1.0 F34 C:M9R1110 2.0 84.9 1.0 F35 C:M9R1110 2.1 81.0 1.0 C05 C:M9R1110 2.3 75.8 1.0 C04 C:M9R1110 2.6 75.1 1.0 CG C:MET556 3.4 50.5 1.0 CG2 C:ILE555 3.4 51.6 1.0 C06 C:M9R1110 3.5 75.7 1.0 N C:MET556 3.8 47.5 1.0 CE2 C:PHE583 3.9 66.6 1.0 CB C:ILE555 4.0 49.9 1.0 CA C:MET556 4.0 47.8 1.0 C03 C:M9R1110 4.0 75.5 1.0 C C:ILE555 4.2 48.8 1.0 O C:ALA552 4.2 46.9 1.0 CB C:MET556 4.3 48.2 1.0 C01 C:M9R1110 4.6 76.5 1.0 CD2 C:PHE583 4.6 68.2 1.0 O C:ILE555 4.7 47.4 1.0 CA C:ILE555 4.7 48.2 1.0 CZ C:PHE583 4.8 65.7 1.0 C02 C:M9R1110 4.8 75.5 1.0 SD C:MET556 4.9 53.7 1.0 CD2 C:LEU580 4.9 49.9 1.0 CG C:LYS579 5.0 66.2 1.0

Fluorine binding site 3 out of 4 in the B27 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of B27 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1110 b:84.9 occ:1.00 F34 C:M9R1110 0.0 84.9 1.0 C07 C:M9R1110 1.3 80.6 1.0 F33 C:M9R1110 2.0 80.7 1.0 F35 C:M9R1110 2.1 81.0 1.0 C05 C:M9R1110 2.3 75.8 1.0 C04 C:M9R1110 3.0 75.1 1.0 C06 C:M9R1110 3.2 75.7 1.0 CB C:LYS579 3.6 59.5 1.0 CG C:LYS579 3.8 66.2 1.0 CD2 C:LEU580 3.9 49.9 1.0 O C:VAL576 3.9 47.0 1.0 CE2 C:PHE583 3.9 66.6 1.0 CG C:MET556 4.2 50.5 1.0 N C:LEU580 4.2 50.8 1.0 CD2 C:PHE583 4.3 68.2 1.0 CG C:LEU580 4.3 48.6 1.0 C03 C:M9R1110 4.3 75.5 1.0 C C:LYS579 4.4 53.7 1.0 C01 C:M9R1110 4.4 76.5 1.0 CG1 C:VAL576 4.4 49.2 1.0 CA C:VAL576 4.5 50.4 1.0 CA C:LYS579 4.6 56.5 1.0 C C:VAL576 4.7 49.3 1.0 CA C:LEU580 4.8 50.4 1.0 C02 C:M9R1110 4.9 75.5 1.0 O C:LYS579 4.9 51.6 1.0 CB C:VAL576 4.9 49.9 1.0

Fluorine binding site 4 out of 4 in the B27 in Complex with CRM1-Ran-RANBP1


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of B27 in Complex with CRM1-Ran-RANBP1 within 5.0Å range: probe atom residue distance (Å) B Occ C:F1110 b:116.9 occ:1.00 F32 C:M9R1110 0.0 116.9 1.0 C29 C:M9R1110 1.3 113.6 1.0 C28 C:M9R1110 2.3 110.8 1.0 C30 C:M9R1110 2.4 110.4 1.0 C27 C:M9R1110 3.6 107.4 1.0 C31 C:M9R1110 3.6 107.8 1.0 C26 C:M9R1110 4.1 105.0 1.0

Y.Lei, Q.Sun. B27 in Complex with CRM1-Ran-RANBP1 To Be Published.