Zinc 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:

Arsenic

(As)

1 atom

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis, PDB code: 2j13:
Jump to Zinc binding site number: 1; 2; 3; 4;

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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:Zn1236 b:21.7 occ:1.00 O2 A:CAC1242 1.9 21.3 1.0 NE2 A:HIS103 2.0 17.3 1.0 NE2 A:HIS107 2.1 24.3 1.0 O A:ACT1240 2.2 31.9 1.0 OXT A:ACT1240 2.5 33.1 1.0 C A:ACT1240 2.7 31.8 1.0 CE1 A:HIS103 3.0 18.3 1.0 CD2 A:HIS103 3.0 19.3 1.0 CD2 A:HIS107 3.0 24.8 1.0 CE1 A:HIS107 3.1 24.9 1.0 AS A:CAC1242 3.1 25.2 1.0 O1 A:CAC1242 3.3 23.6 1.0 ND1 A:HIS103 4.1 17.6 1.0 CG A:HIS103 4.1 17.9 1.0 CH3 A:ACT1240 4.1 31.6 1.0 ND1 A:HIS107 4.2 24.4 1.0 N A:ARG145 4.2 22.8 1.0 CG A:HIS107 4.2 22.8 1.0 C2 A:CAC1242 4.2 24.4 1.0 CA A:PRO144 4.4 20.6 1.0 OD2 A:ASP52 4.5 21.8 1.0 CB A:ASP52 4.6 19.1 1.0 C1 A:CAC1242 4.6 24.5 1.0 C A:PRO144 4.8 22.0 1.0 CG A:ASP52 4.9 20.7 1.0 CB A:PRO144 5.0 20.9 1.0

Zinc binding site 2 out of 4 in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1237 b:24.2 occ:1.00 O A:ACT1241 1.9 30.1 1.0 O A:HOH2173 2.0 24.7 1.0 NE2 A:HIS201 2.0 23.3 1.0 C A:ACT1241 2.6 31.3 1.0 OXT A:ACT1241 2.8 31.4 1.0 CD2 A:HIS201 3.0 21.2 1.0 CE1 A:HIS201 3.0 24.6 1.0 O1 A:CAC1242 3.9 23.6 1.0 CH3 A:ACT1241 4.1 30.4 1.0 C2 A:CAC1242 4.1 24.4 1.0 CG A:HIS201 4.1 23.4 1.0 ND1 A:HIS201 4.1 24.9 1.0 CD2 A:LEU171 4.3 43.1 1.0 CD2 A:LEU199 4.6 21.8 1.0 O A:HOH2144 4.6 29.3 1.0 AS A:CAC1242 4.6 25.2 1.0 CG A:LEU199 4.7 19.0 1.0 CD1 A:LEU199 4.9 19.8 1.0

Zinc binding site 3 out of 4 in the Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1238 b:45.8 occ:1.00 OD1 A:ASP46 2.0 34.7 1.0 ND1 A:HIS224 2.2 37.3 1.0 O A:HOH2174 2.3 52.6 1.0 O A:HOH2175 2.4 47.4 1.0 CG A:ASP46 2.9 32.2 1.0 CE1 A:HIS224 3.1 38.0 1.0 CG A:HIS224 3.2 33.5 1.0 OD2 A:ASP46 3.2 36.2 1.0 CB A:HIS224 3.5 29.7 1.0 CE A:LYS226 3.9 39.5 1.0 NZ A:LYS226 4.2 41.4 1.0 NE2 A:HIS224 4.2 37.8 1.0 CB A:ASP46 4.3 29.6 1.0 CD2 A:HIS224 4.3 36.9 1.0 N A:ASP46 4.6 30.7 1.0 CA A:ASP46 4.6 28.9 1.0 C A:LYS45 4.8 34.5 1.0 O A:LYS45 4.8 33.9 1.0 CE A:LYS44 4.8 48.0 1.0 CA A:HIS224 4.9 27.7 1.0 CD A:LYS226 4.9 35.5 1.0

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


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of A Family 4 Carbohydrate Esterase From Bacillus Anthracis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1239 b:57.5 occ:1.00 ND1 A:HIS81 1.9 39.4 1.0 O A:HOH2177 2.3 64.5 1.0 O A:HOH2176 2.8 67.2 1.0 CE1 A:HIS81 2.8 40.6 1.0 O A:HOH2178 2.8 45.0 1.0 CG A:HIS81 2.9 36.3 1.0 CB A:HIS81 3.4 32.0 1.0 CA A:HIS81 3.9 30.2 1.0 NE2 A:HIS81 3.9 41.1 1.0 O A:HOH2001 3.9 55.7 1.0 CD2 A:HIS81 4.0 38.2 1.0 C A:HIS81 4.8 29.7 1.0 O A:HIS81 4.8 30.0 1.0 CG2 A:THR85 4.9 31.6 1.0 N A:HIS81 4.9 28.7 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