Chlorine in PDB 8i0j: JB13GH39P28 Mutant-D41G

The structure of JB13GH39P28 Mutant-D41G, PDB code: 8i0j was solved by J.P.Zhou, L.J.Cao, M.Y.Lin, R.Zhang, Z.X.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.132, 63.64, 144.303, 90, 93.76, 90
R / Rfree (%)	14.4 / 18.4

The binding sites of Chlorine atom in the JB13GH39P28 Mutant-D41G (pdb code 8i0j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the JB13GH39P28 Mutant-D41G, PDB code: 8i0j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the JB13GH39P28 Mutant-D41G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of JB13GH39P28 Mutant-D41G within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:14.5 occ:1.00 N A:GLU333 3.2 16.1 1.0 O A:HOH828 3.2 18.5 1.0 NE1 A:TRP129 3.3 19.3 1.0 N A:TYR42 3.4 15.2 1.0 CA A:GLY41 3.6 15.2 1.0 N A:GLU334 3.6 16.3 1.0 CD1 A:TYR42 3.7 17.2 1.0 CA A:GLU333 3.9 18.4 1.0 C A:GLU333 4.0 15.9 1.0 CG A:GLU334 4.0 15.3 1.0 OG1 A:THR45 4.0 44.4 1.0 C A:GLY41 4.0 14.3 1.0 CD2 A:PHE332 4.0 15.5 1.0 CE2 A:PHE332 4.1 15.2 1.0 CE2 A:TRP129 4.1 16.2 1.0 CD1 A:TRP129 4.1 18.0 1.0 CB A:GLU333 4.2 22.4 1.0 C A:PHE332 4.2 18.1 1.0 CG A:PHE332 4.2 15.5 1.0 CB A:TYR42 4.2 16.3 1.0 CA A:PHE332 4.3 16.8 1.0 CZ A:PHE332 4.3 16.5 1.0 CZ2 A:TRP129 4.3 19.1 1.0 CG A:TYR42 4.4 16.7 1.0 CA A:TYR42 4.4 14.9 1.0 CD1 A:PHE332 4.4 16.8 1.0 CE1 A:PHE332 4.4 16.3 1.0 CA A:GLU334 4.5 16.3 1.0 CE1 A:TYR42 4.6 18.2 1.0 CB A:GLU334 4.7 16.3 1.0 CB A:PHE332 4.9 17.4 1.0 CD A:GLU334 4.9 17.1 1.0 N A:GLY41 4.9 14.5 1.0 OE2 A:GLU334 4.9 19.1 1.0 O A:GLU333 4.9 16.5 1.0 O A:HOH867 5.0 14.6 1.0

Chlorine binding site 2 out of 2 in the JB13GH39P28 Mutant-D41G


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of JB13GH39P28 Mutant-D41G within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:16.9 occ:1.00 O B:HOH822 3.1 20.7 1.0 N B:GLU333 3.2 20.9 1.0 NE1 B:TRP129 3.3 20.2 1.0 N B:TYR42 3.3 16.5 1.0 CA B:GLY41 3.5 17.4 1.0 N B:GLU334 3.6 20.0 1.0 CD1 B:TYR42 3.7 18.7 1.0 CA B:GLU333 3.9 21.7 1.0 CG B:GLU334 3.9 19.9 1.0 CG2 B:THR45 4.0 34.3 1.0 CD1 B:PHE332 4.0 20.9 1.0 C B:GLU333 4.0 20.8 1.0 C B:GLY41 4.0 16.5 1.0 CE1 B:PHE332 4.0 21.3 1.0 CB B:GLU333 4.1 24.4 1.0 C B:PHE332 4.1 20.7 1.0 CG B:PHE332 4.2 19.9 1.0 CE2 B:TRP129 4.2 18.9 1.0 CB B:TYR42 4.2 18.9 1.0 CD1 B:TRP129 4.2 19.1 1.0 CA B:PHE332 4.2 20.4 1.0 CZ B:PHE332 4.3 20.8 1.0 CA B:TYR42 4.4 17.1 1.0 CG B:TYR42 4.4 18.5 1.0 CZ2 B:TRP129 4.4 19.6 1.0 CD2 B:PHE332 4.4 19.0 1.0 CE2 B:PHE332 4.5 17.9 1.0 CA B:GLU334 4.5 23.0 1.0 CE1 B:TYR42 4.6 20.8 1.0 CB B:GLU334 4.7 21.0 1.0 CB B:PHE332 4.8 21.3 1.0 O B:HOH844 4.8 17.7 1.0 N B:GLY41 4.9 17.9 1.0 CD B:GLU334 4.9 20.1 1.0 OG1 B:THR45 4.9 38.1 1.0 OE2 B:GLU334 4.9 22.1 1.0 O B:GLU333 5.0 23.4 1.0 CG B:GLU333 5.0 29.1 1.0

L.J.Cao, M.Y.Lin, R.Zhang, Z.X.Huang, J.P.Zhou. Beta-Xylosidase JB13GH39P28 (D41G) Showing Salt/Ethanol/Trypsin Tolerance and Transformation of Notoginsenosides To Be Published.