Chlorine in PDB 2yj0: X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin

The structure of X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin, PDB code: 2yj0 was solved by X.Vinzenz, W.Grosse, U.Linne, B.Meissner, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	94.000, 103.800, 82.500, 90.00, 90.00, 90.00
R / Rfree (%)	21.692 / 27.493

The binding sites of Chlorine atom in the X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin (pdb code 2yj0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin, PDB code: 2yj0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1070 b:40.5 occ:1.00 CE A:LYS61 3.4 24.3 0.3 NZ A:LYS61 3.5 23.9 0.3 OE1 A:GLU9 4.6 26.0 1.0 CE A:LYS61 4.7 26.6 0.7 CD A:LYS61 4.8 23.2 0.3

Chlorine binding site 2 out of 3 in the X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1070 b:39.0 occ:1.00 NZ B:LYS61 3.0 31.5 1.0 CE B:LYS61 3.4 28.5 1.0 CE C:LYS61 3.5 27.1 1.0 CE E:LYS61 3.7 29.2 1.0 NZ E:LYS61 3.8 31.9 1.0 NZ C:LYS61 3.9 27.0 1.0 OE1 E:GLU9 4.2 26.4 1.0 OE1 B:GLU9 4.3 27.2 1.0 OE1 C:GLU9 4.8 27.2 1.0 CD B:LYS61 4.9 25.8 1.0 NE2 B:GLN42 4.9 27.4 1.0 CD C:LYS61 4.9 25.6 1.0 O10 C:420100 4.9 23.1 0.4

Chlorine binding site 3 out of 3 in the X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Chemically Engineered Mycobacterium Tuberculosis Dodecin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1071 b:33.2 occ:1.00 N8P B:COA200 3.1 25.8 1.0 N8P E:COA200 3.1 26.2 1.0 N8P C:COA200 3.3 27.2 1.0 C7P E:COA200 3.5 25.9 1.0 OAP E:COA200 3.6 26.0 1.0 C7P C:COA200 3.6 27.3 1.0 C7P B:COA200 3.7 25.9 1.0 OAP C:COA200 3.8 27.4 1.0 C9P B:COA200 4.1 25.8 1.0 OAP B:COA200 4.1 25.2 1.0 C9P E:COA200 4.2 26.2 1.0 CAP B:COA200 4.2 25.5 1.0 C9P C:COA200 4.4 27.4 1.0 CAP E:COA200 4.5 26.4 1.0 C6P C:COA200 4.5 27.3 1.0 C6P E:COA200 4.5 25.6 1.0 CAP C:COA200 4.7 27.4 1.0 C6P B:COA200 4.8 25.7 1.0 O2A E:COA200 4.9 28.8 1.0 O2A B:COA200 5.0 26.8 1.0

X.Vinzenz, W.Grosse, U.Linne, B.Meissner, L.-O.Essen. Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids. Chem.Commun.(Camb.) V. 47 11071 2011.
ISSN: ISSN 1359-7345
PubMed: 21897938
DOI: 10.1039/C1CC12929E