Chlorine in PDB 6yuv: Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A

The structure of Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A, PDB code: 6yuv was solved by J.T.Cramer, T.Fiebig, R.Fedorov, M.Muehlenhoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.40 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	138.320, 138.320, 70.560, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.7

The binding sites of Chlorine atom in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A (pdb code 6yuv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A, PDB code: 6yuv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:45.9 occ:1.00 OG A:SER114 2.9 44.8 1.0 N A:PHE40 3.3 49.0 1.0 N A:LYS115 3.4 47.5 1.0 CB A:PHE40 3.5 58.6 1.0 CB A:SER114 3.5 46.1 1.0 CB A:LYS115 3.6 46.7 1.0 NH1 A:ARG148 3.6 57.4 1.0 CB A:ALA39 3.8 50.0 1.0 CA A:PHE40 4.0 50.4 1.0 OH A:TYR144 4.0 46.4 1.0 CD2 A:PHE40 4.1 57.2 1.0 CA A:LYS115 4.1 43.0 1.0 CG A:PHE40 4.1 54.0 1.0 CE2 A:TYR144 4.2 49.7 1.0 C A:ALA39 4.3 46.0 1.0 CA A:ALA39 4.3 44.5 1.0 C A:SER114 4.4 52.0 1.0 O A:PHE40 4.4 55.5 1.0 CA A:SER114 4.5 43.9 1.0 CZ A:TYR144 4.6 55.3 1.0 C A:PHE40 4.7 58.3 1.0 CZ A:ARG148 4.8 57.1 1.0 O A:SER113 4.9 45.9 1.0 CG A:LYS115 5.0 47.3 1.0

Chlorine binding site 2 out of 2 in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:45.6 occ:1.00 OG B:SER114 2.9 45.9 1.0 N B:PHE40 3.4 45.2 1.0 N B:LYS115 3.4 39.8 1.0 CB B:SER114 3.5 41.4 1.0 CB B:PHE40 3.6 45.4 1.0 CB B:LYS115 3.7 42.2 1.0 NH1 B:ARG148 3.7 58.8 1.0 CD2 B:PHE40 3.8 45.8 1.0 CB B:ALA39 3.8 45.7 1.0 CA B:PHE40 4.1 48.0 1.0 CG B:PHE40 4.1 45.7 1.0 OH B:TYR144 4.1 55.6 1.0 CA B:LYS115 4.1 43.5 1.0 CE2 B:TYR144 4.2 47.1 1.0 C B:ALA39 4.3 44.6 1.0 CA B:ALA39 4.3 41.6 1.0 C B:SER114 4.4 48.0 1.0 CA B:SER114 4.5 43.5 1.0 O B:PHE40 4.6 51.5 1.0 CZ B:TYR144 4.6 52.8 1.0 CZ B:ARG148 4.8 61.7 1.0 CE2 B:PHE40 4.8 52.3 1.0 C B:PHE40 4.9 54.7 1.0 O B:SER113 4.9 43.1 1.0

T.Fiebig, J.T.Cramer, A.Bethe, P.Baruch, U.Curth, J.I.Fuhring, F.F.R.Buettner, U.Vogel, M.Schubert, R.Fedorov, M.Muhlenhoff. Structural and Mechanistic Basis of Capsule O-Acetylation in Neisseria Meningitidis Serogroup A. Nat Commun V. 11 4723 2020.
ISSN: ESSN 2041-1723
PubMed: 32948778
DOI: 10.1038/S41467-020-18464-Y