Chlorine in PDB 3jzi: Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series

All present enzymatic activity of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series:
6.3.4.14; 6.4.1.2;

The structure of Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series, PDB code: 3jzi was solved by C.Cheng, G.W.Shipps, Z.Yang, B.Sun, N.Kawahata, K.Soucy, A.Soriano, P.Orth, L.Xiao, P.Mann, T.Black, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.758, 107.816, 121.941, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.3

The binding sites of Chlorine atom in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series (pdb code 3jzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series, PDB code: 3jzi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series


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 Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl466 b:53.6 occ:1.00 CL28 A:JZL466 0.0 53.6 1.0 C27 A:JZL466 1.7 52.5 1.0 C26 A:JZL466 2.7 52.5 1.0 C22 A:JZL466 2.7 52.0 1.0 C21 A:JZL466 3.0 52.0 1.0 O A:ILE287 3.3 42.5 1.0 O A:HOH588 3.3 42.1 1.0 OH A:TYR199 3.4 72.0 1.0 CD A:LYS116 3.5 65.1 1.0 CG A:LYS116 3.5 56.9 1.0 NZ A:LYS159 3.7 68.1 1.0 CB A:GLU288 3.8 38.0 1.0 CB A:LYS116 4.0 50.0 1.0 O A:HOH609 4.0 45.0 1.0 C25 A:JZL466 4.0 52.4 1.0 C23 A:JZL466 4.1 51.5 1.0 C A:ILE287 4.1 42.2 1.0 CE A:LYS159 4.1 64.9 1.0 OE1 A:GLU288 4.2 47.5 1.0 CE A:LYS116 4.3 71.8 1.0 CG A:GLU288 4.3 46.4 1.0 N20 A:JZL466 4.3 52.4 1.0 CD A:GLU288 4.3 61.0 1.0 N29 A:JZL466 4.5 51.2 1.0 C24 A:JZL466 4.6 52.0 1.0 CA A:GLU288 4.7 36.6 1.0 CZ A:TYR199 4.7 72.3 1.0 N A:GLU288 4.7 37.5 1.0 C19 A:JZL466 4.8 52.6 1.0 CA A:GLY164 5.0 56.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series


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 Biotin Carboxylase From E. Coli in Complex with Benzimidazole Series within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl466 b:33.2 occ:1.00 CL28 B:JZL466 0.0 33.2 1.0 C27 B:JZL466 1.7 29.4 1.0 C22 B:JZL466 2.7 26.2 1.0 C26 B:JZL466 2.7 28.4 1.0 C21 B:JZL466 2.9 27.5 1.0 O B:ILE287 3.1 29.6 1.0 O B:HOH533 3.3 26.0 1.0 CD B:LYS116 3.5 33.9 1.0 CB B:GLU288 3.5 27.3 1.0 OH B:TYR199 3.6 29.2 1.0 CG B:LYS116 3.7 32.7 1.0 C B:ILE287 3.9 29.9 1.0 C23 B:JZL466 4.0 25.2 1.0 C25 B:JZL466 4.0 25.9 1.0 NZ B:LYS159 4.0 23.1 1.0 CG B:GLU288 4.1 29.7 1.0 CD B:GLU288 4.1 38.4 1.0 O B:HOH524 4.1 23.8 1.0 CB B:LYS116 4.1 27.9 1.0 OE1 B:GLU288 4.2 29.6 1.0 N20 B:JZL466 4.3 29.2 1.0 CE B:LYS116 4.4 36.9 1.0 CA B:GLU288 4.5 26.1 1.0 C24 B:JZL466 4.5 25.8 1.0 N B:GLU288 4.5 26.8 1.0 CE B:LYS159 4.5 25.8 1.0 N29 B:JZL466 4.6 33.0 1.0 OE2 B:GLU288 4.7 32.2 1.0 CA B:GLY164 4.7 31.0 1.0 C19 B:JZL466 4.9 31.8 1.0 CA B:ILE287 4.9 26.1 1.0 NZ B:LYS116 4.9 46.6 1.0 CB B:ILE287 4.9 29.1 1.0 CZ B:TYR199 4.9 33.1 1.0

C.C.Cheng, G.W.Shipps, Z.Yang, B.Sun, N.Kawahata, K.A.Soucy, A.Soriano, P.Orth, L.Xiao, P.Mann, T.Black. Discovery and Optimization of Antibacterial Accc Inhibitors. Bioorg.Med.Chem.Lett. V. 19 6507 2009.
ISSN: ISSN 0960-894X
PubMed: 19875284
DOI: 10.1016/J.BMCL.2009.10.057