Chlorine in PDB 2vy0: The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus

All present enzymatic activity of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus:
3.2.1.39;

The structure of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus, PDB code: 2vy0 was solved by A.Ilari, A.Fiorillo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.16
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.363, 84.762, 69.232, 90.00, 104.97, 90.00
R / Rfree (%)	19.1 / 22.9

The structure of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus (pdb code 2vy0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus, PDB code: 2vy0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1296 b:60.2 occ:1.00 O A:HOH2061 3.6 19.3 1.0 O A:HOH2059 3.9 22.1 1.0 CD1 A:ILE49 4.6 18.9 1.0 O A:GLU130 4.6 20.6 1.0 O A:ILE49 4.7 19.1 1.0 CG1 A:VAL129 4.8 20.0 1.0 CB A:TRP50 5.0 17.2 1.0 CE1 A:PHE131 5.0 21.7 1.0

Chlorine binding site 2 out of 3 in the The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1297 b:66.2 occ:1.00 NE2 A:GLN45 3.7 29.9 1.0 O A:HOH2003 3.9 36.7 1.0 O B:TYR237 4.2 18.2 1.0 C B:TYR237 4.3 17.9 1.0 O B:HOH2084 4.6 25.2 1.0 N B:HIS238 4.6 17.7 1.0 CD A:GLN45 4.6 28.5 1.0 NH2 B:ARG201 4.7 23.0 1.0 CA B:HIS238 4.8 17.5 1.0 OE1 A:GLN45 4.8 29.4 1.0 CB A:GLU40 4.8 26.0 1.0 CZ B:ARG201 4.8 24.2 1.0 CA B:TYR237 4.9 18.1 1.0 C B:HIS238 5.0 17.9 1.0

Chlorine binding site 3 out of 3 in the The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The X-Ray Structure of Endo-Beta-1,3-Glucanase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1301 b:55.9 occ:1.00 ND2 B:ASN90 3.0 24.5 0.5 NZ B:LYS68 3.0 28.6 1.0 CG B:ASN90 3.4 23.6 0.5 N B:ASN90 3.5 22.4 1.0 N B:GLU89 3.6 22.3 1.0 CB B:ASN90 3.8 22.8 0.5 CB B:ASN90 3.9 22.2 0.5 CB B:GLU89 4.0 22.7 1.0 OD1 B:ASN90 4.0 24.3 0.5 CB B:THR88 4.0 22.4 1.0 CA B:GLU89 4.2 22.4 1.0 CA B:ASN90 4.3 22.7 0.5 C B:GLU89 4.3 22.4 1.0 CA B:ASN90 4.3 22.4 0.5 CE B:LYS68 4.6 29.9 1.0 OG1 B:THR88 4.6 23.2 1.0 C B:THR88 4.6 22.4 1.0 CA B:THR88 4.6 22.4 1.0 O B:HOH2022 4.6 35.3 1.0 O B:HOH2021 4.9 30.1 1.0 CG2 B:THR88 5.0 23.4 1.0

A.Ilari, A.Fiorillo, S.Angelaccio, R.Florio, R.Chiaraluce, J.Van Der Oost, V.Consalvi. Crystal Structure of A Family 16 Endoglucanase From the Hyperthermophile Pyrococcus Furiosus- Structural Basis of Substrate Recognition. Febs J. V. 276 1048 2009.
ISSN: ISSN 1742-464X
PubMed: 19154353
DOI: 10.1111/J.1742-4658.2008.06848.X