Chlorine in PDB 6nwz: Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase

The structure of Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase, PDB code: 6nwz was solved by N.C.Bamford, P.L.Howell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 2.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.970, 77.970, 640.310, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 24.2

The structure of Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase (pdb code 6nwz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase, PDB code: 6nwz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase


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 AGD3 A Novel Carbohydrate Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl907 b:77.2 occ:1.00 NH2 A:ARG502 3.4 50.7 1.0 NH1 A:ARG502 3.4 46.0 1.0 CZ A:ARG502 3.9 53.2 1.0 CB A:GLN543 4.8 39.0 1.0 CG A:PRO499 4.9 30.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase


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 AGD3 A Novel Carbohydrate Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl908 b:83.5 occ:1.00 NE1 A:TRP632 3.3 45.1 1.0 NH2 A:ARG617 3.5 50.0 1.0 NE A:ARG617 3.6 42.0 1.0 CZ A:ARG617 4.0 42.8 1.0 CD1 A:TRP632 4.2 54.1 1.0 CE2 A:TRP632 4.3 43.9 1.0 CB A:SER636 4.4 55.5 1.0 N A:ALA637 4.5 70.2 1.0 CZ2 A:TRP632 4.6 54.7 1.0 C A:ALA637 4.7 97.7 1.0 CD A:ARG617 4.7 47.9 1.0 CB A:ALA637 4.8 96.3 1.0 N A:GLY638 4.8 89.7 1.0 CA A:ALA637 4.9 88.0 1.0 O A:ALA637 5.0 0.7 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of AGD3 A Novel Carbohydrate Deacetylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl909 b:90.3 occ:1.00 NE A:ARG494 3.5 38.1 1.0 NH2 A:ARG494 3.6 46.2 1.0 CZ A:ARG494 4.0 46.9 1.0 CD A:ARG494 4.6 39.1 1.0

N.C.Bamford, F.Le Mauff, J.Van Loon, H.Ostapska, B.D.Snarr, E.Kitova, J.Klassen, D.C.Sheppard, P.L.Howell. Structural and Functional Characterization of AGD3: the Founding Member of A New Carbohydrate Esterase Family To Be Published.