Fluorine in PDB 8vg9: Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A)

The structure of Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A), PDB code: 8vg9 was solved by M.M.Vacilotto, E.A.Araujo, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.05 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.62, 55.019, 63.329, 90, 95.16, 90
R / Rfree (%)	14 / 16.4

The structure of Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A) also contains other interesting chemical elements:

Sodium

(Na)

8 atoms

The binding sites of Fluorine atom in the Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A) (pdb code 8vg9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A), PDB code: 8vg9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F511 b:12.4 occ:1.00 O A:VAL276 2.3 11.0 1.0 OD1 A:ASP232 2.3 16.9 1.0 OE1 A:GLU237 2.4 16.6 1.0 O A:HOH654 2.4 18.6 1.0 OE2 A:GLU237 2.4 15.8 1.0 CD A:GLU237 2.7 14.6 1.0 C A:VAL276 3.3 10.1 1.0 CG A:ASP232 3.4 14.6 1.0 O A:HOH627 3.6 29.1 1.0 CA A:ASP232 3.7 10.6 1.0 CB A:ASP232 3.8 13.2 1.0 O A:HOH611 3.9 23.0 1.0 CA A:VAL276 4.2 9.7 1.0 N A:GLY277 4.2 10.0 1.0 O A:HOH1024 4.2 26.6 1.0 CG A:GLU237 4.3 13.6 1.0 CA A:GLY277 4.3 10.2 1.0 OD1 A:ASN278 4.3 15.8 1.0 C A:GLY277 4.4 10.2 1.0 N A:PHE233 4.4 11.1 1.0 OD2 A:ASP232 4.5 17.7 1.0 N A:ASN278 4.5 8.9 1.0 CG A:ASN278 4.6 13.7 1.0 C A:ASP232 4.6 11.3 1.0 O A:THR275 4.7 13.0 1.0 N A:ASP232 4.7 10.5 1.0 O A:MET231 4.8 10.6 1.0 CB A:ASN278 4.9 11.3 1.0 O A:GLY277 4.9 10.9 1.0 CG1 A:VAL276 5.0 10.8 1.0

Fluorine binding site 2 out of 2 in the Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F512 b:14.1 occ:1.00 O A:HOH1069 2.3 30.3 1.0 O A:HOH734 2.4 19.0 1.0 O A:HOH803 2.4 18.1 1.0 O A:HOH775 2.4 14.6 1.0 O A:HOH933 2.4 21.5 1.0 O A:HOH634 2.4 25.4 1.0 O A:HOH996 3.8 30.3 1.0 O A:HOH609 4.1 18.9 1.0 O A:HOH856 4.1 30.9 1.0 O A:HOH1035 4.3 32.3 1.0 O A:HOH990 4.3 34.6 1.0 CA A:ASN215 4.4 11.3 1.0 OD2 A:ASP217 4.5 13.0 1.0 O A:ASN215 4.5 13.1 1.0 OD1 A:ASP217 4.5 14.3 1.0 OD1 A:ASN215 4.5 14.2 1.0 O A:ALA214 4.6 14.4 1.0 CA A:ASP172 4.6 13.3 1.0 O A:ILE174 4.6 16.2 1.0 C A:ASN215 4.8 11.8 1.0 O A:ASP172 4.8 14.6 1.0 O A:ALA171 4.8 12.1 1.0 CG A:ASP217 4.9 11.1 1.0

M.M.Vacilotto, E.A.Araujo, I.Polikarpov. Crystallographic Structure of Ruminococcus Champanellensis Xylanase (RCXYN30A) To Be Published.