Chlorine in PDB 5o6y: Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide

The structure of Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide, PDB code: 5o6y was solved by V.E.Fadouloglou, D.Kotsifaki, M.Kokkinidis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.52 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	93.042, 93.042, 243.868, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.4

The structure of Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Sodium	(Na)	21 atoms

The binding sites of Chlorine atom in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide (pdb code 5o6y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide, PDB code: 5o6y:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide


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 the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:59.6 occ:1.00 N A:SER263 3.3 12.7 1.0 OG1 A:THR262 3.4 28.1 1.0 CB A:SER263 3.7 26.0 1.0 CA A:SER263 4.1 14.8 1.0 CA A:THR262 4.1 14.2 1.0 C A:THR262 4.2 14.1 1.0 CB A:THR262 4.4 15.3 1.0 O A:HOH515 4.9 24.5 1.0 NZ A:LYS166 4.9 19.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide


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 the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl318 b:27.4 occ:1.00 NZ B:LYS247 2.9 9.3 1.0 ND1 B:HIS98 2.9 10.6 1.0 O B:HOH563 3.2 9.9 1.0 CE B:LYS247 3.6 18.5 1.0 CD B:LYS247 3.6 18.1 1.0 CG B:HIS98 3.7 10.2 1.0 CB B:HIS98 3.7 8.1 1.0 O B:HIS98 3.8 4.3 1.0 CG2 B:ILE243 3.9 3.2 1.0 CE1 B:HIS98 3.9 3.0 1.0 CA B:HIS98 4.0 14.8 1.0 CG B:PRO244 4.4 26.4 1.0 C B:HIS98 4.4 13.2 1.0 O B:HOH409 4.5 17.6 1.0 N B:PRO244 4.6 21.2 1.0 CA B:PRO244 4.6 19.8 1.0 CB B:ILE243 4.7 6.3 1.0 C B:ILE243 4.8 16.0 1.0 CD B:PRO244 4.8 28.9 1.0 CB B:PRO244 4.8 20.0 1.0 CG B:LYS247 4.9 13.9 1.0 CD2 B:HIS98 4.9 8.3 1.0 O B:ILE243 4.9 18.0 1.0 NE2 B:HIS98 4.9 9.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide


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 the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl319 b:79.2 occ:1.00 O B:HOH580 3.8 33.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl309 b:66.2 occ:1.00 ND2 D:ASN210 4.1 31.8 1.0 CG2 D:THR207 4.5 16.9 1.0 OG1 D:THR207 4.6 32.4 1.0 CA D:THR207 4.7 25.2 1.0 CB D:THR207 4.9 24.9 1.0 CB D:ASN210 5.0 25.9 1.0

V.E.Fadouloglou, D.Kotsifaki, M.Kokkinidis. Crystal Structure of the BC1960 Peptidoglycan N-Acetylglucosamine Deacetylase in Complex with 4-Naphthalen-1-Yl-~{N}-Oxidanyl-Benzamide To Be Published.