Chlorine in PDB 6xqz: Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5

All present enzymatic activity of Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5:
3.4.16.4;

The structure of Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5, PDB code: 6xqz was solved by B.A.Fenton, P.Zhou, C.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.52 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.54, 77.48, 86.71, 90, 91.87, 90
R / Rfree (%)	16.4 / 21.3

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5 (pdb code 6xqz). 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 the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5, PDB code: 6xqz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5


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 Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:43.0 occ:1.00 N A:ARG391 3.2 20.5 1.0 ND2 B:ASN406 3.3 21.1 1.0 O A:HOH795 3.6 29.7 1.0 CB A:ARG391 3.7 26.7 1.0 CG A:ARG391 3.7 32.7 1.0 O B:HOH739 3.8 52.3 1.0 CA A:VAL390 4.0 22.6 1.0 CA A:ARG391 4.1 23.5 1.0 C A:VAL390 4.1 22.5 1.0 O A:GLY389 4.1 25.1 1.0 CB B:ASN406 4.2 20.4 1.0 CG B:ASN406 4.2 21.5 1.0 CB A:ALA401 4.3 29.9 1.0 CD A:ARG391 4.5 33.3 1.0 O A:HOH824 4.7 53.8 1.0 CG1 A:VAL390 4.7 19.8 1.0 CB A:VAL390 4.9 23.4 1.0 C A:GLY389 5.0 22.9 1.0 N A:VAL390 5.0 21.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5


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 Catalytic Domain of PBP2 S310A From Neisseria Gonorrhoeae at pH 7.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:40.4 occ:1.00 O A:HOH759 2.7 24.5 1.0 N A:LYS525 2.9 17.7 1.0 O A:HOH842 3.1 26.9 1.0 CB A:LYS525 3.3 29.4 1.0 N A:ALA524 3.3 17.9 1.0 CB A:PRO523 3.6 17.5 1.0 C A:PRO523 3.7 20.7 1.0 CA A:LYS525 3.7 25.4 1.0 C A:ALA524 3.9 16.9 1.0 CA A:PRO523 4.0 19.6 1.0 CA A:ALA524 4.0 15.7 1.0 OD2 A:ASP493 4.4 25.0 1.0 O A:PRO523 4.4 24.0 1.0 CB A:ALA524 4.4 13.4 1.0 OG1 A:THR569 4.4 23.7 1.0 CB A:ASP493 4.4 18.6 1.0 N A:ASN526 4.5 23.6 1.0 CG2 A:THR569 4.6 27.5 1.0 O A:ASP493 4.6 20.1 1.0 C A:LYS525 4.6 25.7 1.0 CG A:LYS525 4.7 37.5 1.0 O A:HOH721 4.8 36.3 1.0 CB A:THR569 4.8 27.5 1.0 CG A:ASP493 4.9 22.4 1.0 N A:ASP493 4.9 16.3 1.0

B.A.Fenton, J.Tomberg, R.A.Nicholas, C.Davies, P.Zhou. Catalytic Domain of PBP2 To Be Published.