Chlorine in PDB 3vil: Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin

All present enzymatic activity of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin:
3.2.1.21;

The structure of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin, PDB code: 3vil was solved by W.Y.Jeng, C.I.Liu, A.H.J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.20 / 1.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.908, 68.536, 75.663, 90.00, 95.70, 90.00
R / Rfree (%)	12.8 / 15.4

The structure of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin (pdb code 3vil). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin, PDB code: 3vil:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:22.8 occ:0.50 O A:HOH1218 2.7 40.0 1.0 O A:HOH665 3.1 17.5 1.0 O A:HOH773 3.6 28.1 1.0 CB A:ARG495 4.1 17.1 1.0 CD A:ARG495 4.3 17.8 1.0 N A:ARG495 4.6 15.8 1.0 OE2 A:GLU494 4.6 17.7 1.0 CG A:ARG495 4.7 16.9 1.0 CA A:ARG495 4.8 16.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Salicin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl512 b:39.8 occ:0.50 N A:ASN262 3.3 19.7 1.0 O A:HOH1044 3.3 44.5 1.0 CB A:ASN262 3.8 24.8 1.0 CB A:THR261 3.8 17.9 1.0 CA A:THR261 4.1 16.7 1.0 CA A:ASN262 4.1 21.4 1.0 C A:THR261 4.1 17.4 1.0 OG1 A:THR261 4.7 18.3 1.0 CG2 A:THR261 4.7 19.9 1.0 O A:HOH1007 4.8 42.0 1.0 C A:ASN262 4.9 20.7 1.0

W.Y.Jeng, N.C.Wang, C.T.Lin, W.J.Chang, C.I.Liu, A.H.J.Wang. High-Resolution Structures of Neotermes Koshunensis Beta-Glucosidase Mutants Provide Insights Into the Catalytic Mechanism and the Synthesis of Glucoconjugates Acta Crystallogr.,Sect.D V. 68 829 2012.
ISSN: ISSN 0907-4449
PubMed: 22751668
DOI: 10.1107/S0907444912013224