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

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

The structure of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Glucose, PDB code: 3vij 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)	26.40 / 1.03
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.948, 68.403, 75.052, 90.00, 95.48, 90.00
R / Rfree (%)	12 / 13.5

The structure of Crystal Structure of Beta-Glucosidase From Termite Neotermes Koshunensis in Complex with Glucose 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 Glucose (pdb code 3vij). 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 Glucose, PDB code: 3vij:
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 Glucose


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 Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:18.8 occ:0.50 O A:HOH1207 2.8 43.1 1.0 O A:HOH659 3.1 11.8 1.0 O A:HOH787 3.6 23.1 1.0 CB A:ARG495 4.1 12.1 1.0 CD A:ARG495 4.4 12.9 1.0 OE1 A:GLU494 4.6 12.7 1.0 N A:ARG495 4.6 10.9 1.0 CG A:ARG495 4.7 12.2 1.0 CA A:ARG495 4.8 11.8 1.0

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


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 Glucose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:29.3 occ:0.50 N A:ASN262 3.3 15.8 1.0 CB A:THR261 3.9 13.3 1.0 CB A:ASN262 3.9 19.9 1.0 CA A:THR261 4.1 12.8 1.0 C A:THR261 4.2 13.4 1.0 CA A:ASN262 4.2 17.6 1.0 CG2 A:THR261 4.8 15.3 1.0 OG1 A:THR261 4.8 14.2 1.0 O A:HOH996 4.8 30.6 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