Sodium in PDB 7z64: A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases

The structure of A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases, PDB code: 7z64 was solved by J.Madhuprakash, B.Dalhus, A.K.Rohr, B.Bissaro, G.Vaaje-Kolstad, M.Sorlie, V.G.Eijsink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.12 / 1.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.97, 62.42, 102.65, 90, 102.75, 90
R / Rfree (%)	14.8 / 16.6

The binding sites of Sodium atom in the A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases (pdb code 7z64). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases, PDB code: 7z64:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:13.0 occ:1.00 O A:HOH690 2.6 42.3 1.0 O A:TRP189 2.6 27.0 1.0 O A:ARG187 2.6 20.3 1.0 O A:HOH445 2.7 17.9 1.0 OD2 A:ASP194 2.7 17.3 1.0 HB3 A:SER196 3.1 20.4 1.0 OG A:SER196 3.2 17.5 1.0 CG A:ASP194 3.5 16.6 1.0 OD1 A:ASP194 3.6 17.4 1.0 C A:ARG187 3.6 17.3 1.0 CB A:SER196 3.6 17.0 1.0 HA A:ARG187 3.7 22.3 1.0 C A:TRP189 3.8 22.0 1.0 HA A:ASP190 3.8 22.8 0.5 O A:HOH407 4.0 28.6 1.0 HA A:ASP190 4.0 22.8 0.5 HB2 A:SER196 4.0 20.4 1.0 O A:HOH761 4.1 52.9 1.0 O A:HOH497 4.1 17.2 1.0 H A:TRP189 4.2 27.0 1.0 CA A:ARG187 4.2 18.6 1.0 N A:TRP189 4.3 22.5 1.0 HB2 A:ARG187 4.4 22.5 1.0 H A:HIS191 4.4 20.9 1.0 H A:SER196 4.4 18.0 1.0 O A:HIS191 4.6 18.8 1.0 N A:GLU188 4.6 18.8 1.0 C A:GLU188 4.6 20.0 1.0 CA A:ASP190 4.6 19.0 0.5 N A:ASP190 4.6 21.8 1.0 CA A:ASP190 4.7 19.0 0.5 HA A:GLU188 4.7 24.9 1.0 CA A:TRP189 4.7 20.3 1.0 O A:HOH437 4.8 34.0 1.0 N A:HIS191 4.8 17.4 1.0 CB A:ARG187 4.9 18.7 1.0 CA A:GLU188 4.9 20.8 1.0 CA A:SER196 4.9 14.8 1.0

Sodium binding site 2 out of 2 in the A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases within 5.0Å range: probe atom residue distance (Å) B Occ B:Na304 b:14.9 occ:1.00 O B:TRP189 2.6 26.2 1.0 O B:ARG187 2.6 21.3 1.0 O B:HOH473 2.7 16.3 1.0 OD2 B:ASP194 2.7 14.6 1.0 HB3 B:SER196 3.0 18.8 1.0 OG B:SER196 3.2 17.0 1.0 O B:HOH723 3.3 47.9 1.0 CG B:ASP194 3.5 12.4 1.0 C B:ARG187 3.5 17.7 1.0 OD1 B:ASP194 3.5 12.6 1.0 CB B:SER196 3.5 15.7 1.0 HA B:ARG187 3.5 16.4 1.0 HA B:ASP190 3.7 18.7 1.0 C B:TRP189 3.8 23.2 1.0 HB2 B:SER196 3.9 18.8 1.0 O B:HOH406 4.0 55.0 1.0 CA B:ARG187 4.1 13.6 1.0 O B:HOH501 4.2 14.6 1.0 HB2 B:ARG187 4.2 17.4 1.0 H B:TRP189 4.3 21.4 1.0 H B:SER196 4.3 14.1 1.0 N B:TRP189 4.4 17.8 1.0 O B:HOH604 4.4 49.1 1.0 H B:HIS191 4.4 14.7 1.0 N B:GLU188 4.5 20.1 1.0 CA B:ASP190 4.5 15.6 1.0 O B:HIS191 4.6 12.8 1.0 N B:ASP190 4.6 15.6 1.0 HA B:GLU188 4.6 25.8 1.0 C B:GLU188 4.6 20.8 1.0 CB B:ARG187 4.7 14.5 1.0 CA B:TRP189 4.8 13.8 1.0 N B:HIS191 4.8 12.2 1.0 CA B:GLU188 4.8 21.5 1.0 CA B:SER196 4.9 12.1 1.0 OD1 B:ASP190 4.9 30.3 1.0 CB B:ASP194 4.9 11.2 1.0 O B:HOH572 4.9 37.8 1.0 O B:HOH761 4.9 45.4 1.0 N B:SER196 5.0 11.8 1.0 C B:ASP190 5.0 12.3 1.0

J.Madhuprakash, B.Dalhus, A.K.Rohr, B.Bissaro, G.Vaaje-Kolstad, M.Sorlie, V.G.H.Eijsink. A GH18 From Haloalkaliphilic Bacterium Unveils Environment-Dependent Variations in the Catalytic Machinery of Chitinases To Be Published.