Arsenic in PDB 2j13: Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis

The structure of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis, PDB code: 2j13 was solved by T.M.Gloster, L.Oberbarnscheidt, E.J.Taylor, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.7
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	56.927, 56.927, 158.531, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 23

The structure of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Arsenic atom in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis (pdb code 2j13). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis, PDB code: 2j13:

Arsenic binding site 1 out of 1 in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:As1242 b:25.2 occ:1.00 AS A:CAC1242 0.0 25.2 1.0 O1 A:CAC1242 1.7 23.6 1.0 O2 A:CAC1242 1.7 21.3 1.0 C1 A:CAC1242 1.9 24.5 1.0 C2 A:CAC1242 2.0 24.4 1.0 ZN A:ZN1236 3.1 21.7 1.0 O A:ACT1240 3.5 31.9 1.0 OD2 A:ASP52 3.5 21.8 1.0 O A:HOH2173 3.9 24.7 1.0 O A:ACT1241 3.9 30.1 1.0 N A:ARG145 4.0 22.8 1.0 CA A:ARG145 4.1 24.7 1.0 NE2 A:HIS103 4.2 17.3 1.0 C A:ACT1240 4.2 31.8 1.0 O A:HOH2123 4.2 29.0 0.5 CE1 A:HIS103 4.4 18.3 1.0 OXT A:ACT1240 4.5 33.1 1.0 CG A:ASP52 4.5 20.7 1.0 O A:HOH2124 4.6 32.5 0.5 ZN A:ZN1237 4.6 24.2 1.0 CB A:ASP52 4.7 19.1 1.0 NE2 A:HIS107 4.8 24.3 1.0 C A:ARG145 4.8 23.3 1.0 C A:ACT1241 4.9 31.3 1.0

L.Oberbarnscheidt, E.J.Taylor, G.J.Davies, T.M.Gloster. Structure of A Carbohydrate Esterase From Bacillus Anthracis. Proteins: Struct., Funct., V. 66 250 2007BIOINF..
ISSN: ISSN 0887-3585
PubMed: 17063474
DOI: 10.1002/PROT.21217