Chlorine in PDB 7tb0: E. Faecium Muraa in Complex with Fosfomycin and Unag

All present enzymatic activity of E. Faecium Muraa in Complex with Fosfomycin and Unag:
2.5.1.7;

The structure of E. Faecium Muraa in Complex with Fosfomycin and Unag, PDB code: 7tb0 was solved by Y.Zhou, Y.Shamoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	72.03, 96.81, 96.821, 115.06, 99.15, 103.88
R / Rfree (%)	11.6 / 15.8

The structure of E. Faecium Muraa in Complex with Fosfomycin and Unag also contains other interesting chemical elements:

Potassium	(K)	10 atoms
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the E. Faecium Muraa in Complex with Fosfomycin and Unag (pdb code 7tb0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the E. Faecium Muraa in Complex with Fosfomycin and Unag, PDB code: 7tb0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:15.5 occ:1.00 O A:HOH775 3.1 10.3 1.0 NH1 A:ARG399 3.1 12.3 1.0 O A:HOH969 3.1 24.5 1.0 N A:LEU372 3.2 9.9 1.0 CD1 A:TYR396 3.5 12.4 1.0 SG A:CYS119 3.5 9.9 1.0 CA A:ASP371 3.5 9.4 1.0 CA A:CYS119 3.7 8.8 1.0 C A:ASP371 3.8 9.7 1.0 CD A:ARG399 3.8 10.7 1.0 CB A:ASP371 3.9 11.1 1.0 N A:CYS119 4.1 8.5 1.0 CB A:LEU372 4.1 9.5 1.0 CB A:CYS119 4.1 9.5 1.0 CB A:TYR396 4.1 10.9 1.0 CA A:LEU372 4.2 10.0 1.0 CG A:TYR396 4.2 11.1 1.0 CZ A:ARG399 4.2 11.4 1.0 CE1 A:TYR396 4.3 10.9 1.0 O A:HOH884 4.3 24.8 1.0 CA A:TYR396 4.4 10.0 1.0 NE A:ARG399 4.4 10.8 1.0 C A:GLY118 4.6 9.9 1.0 O A:TYR396 4.6 10.7 1.0 N A:ASP371 4.7 10.8 1.0 O A:GLY118 4.7 10.6 1.0 O A:THR370 4.8 9.3 1.0 C A:CYS119 4.9 8.3 1.0 N A:ALA120 4.9 9.0 1.0 CG A:ARG399 5.0 10.0 1.0 C A:TYR396 5.0 10.7 1.0

Chlorine binding site 2 out of 4 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:18.0 occ:1.00 O B:HOH954 3.1 24.1 1.0 O B:HOH810 3.1 13.2 1.0 NH1 B:ARG399 3.2 13.7 1.0 N B:LEU372 3.2 11.3 1.0 CD1 B:TYR396 3.5 12.5 1.0 SG B:CYS119 3.5 11.4 1.0 CA B:ASP371 3.5 11.6 1.0 CA B:CYS119 3.7 10.3 1.0 C B:ASP371 3.8 12.1 1.0 CD B:ARG399 3.8 14.5 1.0 CB B:ASP371 3.9 12.1 1.0 CB B:LEU372 4.1 11.9 1.0 N B:CYS119 4.1 10.3 1.0 CB B:CYS119 4.1 11.0 1.0 CG B:TYR396 4.1 12.0 1.0 CB B:TYR396 4.1 12.2 1.0 CA B:LEU372 4.2 12.1 1.0 CZ B:ARG399 4.2 14.8 1.0 CE1 B:TYR396 4.2 12.6 1.0 O B:HOH881 4.3 26.6 1.0 CA B:TYR396 4.4 11.7 1.0 NE B:ARG399 4.5 15.7 1.0 C B:GLY118 4.6 11.3 1.0 O B:TYR396 4.6 12.8 1.0 N B:ASP371 4.7 11.9 1.0 O B:GLY118 4.8 10.8 1.0 O B:THR370 4.9 13.5 1.0 C B:CYS119 4.9 10.8 1.0 N B:ALA120 5.0 9.2 1.0 CG B:ARG399 5.0 14.2 1.0 C B:TYR396 5.0 11.7 1.0

Chlorine binding site 3 out of 4 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl506 b:16.9 occ:1.00 O C:HOH948 3.1 26.4 1.0 O C:HOH816 3.2 12.6 1.0 NH1 C:ARG399 3.2 13.3 1.0 N C:LEU372 3.2 11.1 1.0 CD1 C:TYR396 3.5 11.7 1.0 CA C:ASP371 3.5 10.5 1.0 SG C:CYS119 3.5 11.4 1.0 CA C:CYS119 3.7 10.1 1.0 C C:ASP371 3.8 10.6 1.0 CD C:ARG399 3.9 14.3 1.0 CB C:ASP371 3.9 11.9 1.0 CB C:LEU372 4.0 10.3 1.0 N C:CYS119 4.1 9.2 1.0 CB C:TYR396 4.1 11.0 1.0 CB C:CYS119 4.1 10.7 1.0 CG C:TYR396 4.1 12.1 1.0 CA C:LEU372 4.1 10.3 1.0 CZ C:ARG399 4.3 13.3 1.0 CE1 C:TYR396 4.3 12.7 1.0 O C:HOH906 4.3 28.3 1.0 CA C:TYR396 4.4 11.3 1.0 NE C:ARG399 4.5 12.8 1.0 C C:GLY118 4.6 11.4 1.0 O C:TYR396 4.7 11.1 1.0 N C:ASP371 4.7 11.1 1.0 O C:GLY118 4.8 11.6 1.0 O C:THR370 4.9 13.0 1.0 C C:CYS119 4.9 8.8 1.0 N C:ALA120 4.9 9.4 1.0 CG C:ARG399 5.0 13.6 1.0 C C:TYR396 5.0 11.8 1.0

Chlorine binding site 4 out of 4 in the E. Faecium Muraa in Complex with Fosfomycin and Unag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of E. Faecium Muraa in Complex with Fosfomycin and Unag within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl506 b:16.8 occ:1.00 O D:HOH970 3.1 24.0 1.0 NH1 D:ARG399 3.1 11.8 1.0 O D:HOH774 3.1 11.9 1.0 N D:LEU372 3.3 9.2 1.0 CD1 D:TYR396 3.5 10.8 1.0 SG D:CYS119 3.5 10.0 1.0 CA D:ASP371 3.6 10.2 1.0 CA D:CYS119 3.7 8.7 1.0 CD D:ARG399 3.8 11.2 1.0 C D:ASP371 3.9 10.3 1.0 CB D:ASP371 3.9 10.7 1.0 CB D:LEU372 4.0 9.3 1.0 N D:CYS119 4.1 8.1 1.0 CB D:CYS119 4.1 10.0 1.0 CA D:LEU372 4.2 9.6 1.0 CB D:TYR396 4.2 10.2 1.0 CG D:TYR396 4.2 10.2 1.0 CZ D:ARG399 4.2 12.7 1.0 CE1 D:TYR396 4.2 11.2 1.0 NE D:ARG399 4.4 12.7 1.0 CA D:TYR396 4.4 10.4 1.0 C D:GLY118 4.6 8.1 1.0 O D:TYR396 4.6 11.9 1.0 O D:GLY118 4.8 10.4 1.0 N D:ASP371 4.8 11.5 1.0 C D:CYS119 4.9 8.1 1.0 O D:THR370 4.9 11.4 1.0 N D:ALA120 4.9 8.9 1.0 CG D:ARG399 5.0 11.1 1.0

Y.Zhou, Y.Shamoo. E. Faecium Muraa in Complex with Fosfomycin and Unag To Be Published.