Chlorine in PDB 6yuq: Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A in Complex with Polysaccharide

Protein crystallography data

The structure of Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A in Complex with Polysaccharide, PDB code: 6yuq 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) 46.27 / 1.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 137.483, 137.483, 70.253, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A in Complex with Polysaccharide (pdb code 6yuq). 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 in Complex with Polysaccharide, PDB code: 6yuq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6yuq

Go back to Chlorine Binding Sites List in 6yuq
Chlorine binding site 1 out of 2 in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A in Complex with Polysaccharide


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 in Complex with Polysaccharide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:65.4
occ:1.00
O3 A:BMX405 2.9 71.5 1.0
OG A:SER114 2.9 62.9 1.0
N A:PHE40 3.2 68.5 1.0
CB A:PHE40 3.4 73.0 1.0
N A:LYS115 3.4 56.9 1.0
CB A:SER114 3.4 58.7 1.0
CB A:LYS115 3.6 59.8 1.0
C3 A:BMX405 3.7 73.9 1.0
NH1 A:ARG148 3.7 73.2 1.0
CB A:ALA39 3.8 67.2 1.0
CA A:PHE40 3.8 70.1 1.0
OH A:TYR144 3.9 67.0 1.0
CD2 A:PHE40 4.0 72.1 1.0
CE2 A:TYR144 4.0 66.1 1.0
CG A:PHE40 4.1 71.5 1.0
CA A:LYS115 4.1 57.1 1.0
O A:PHE40 4.2 75.7 1.0
C A:ALA39 4.2 66.6 1.0
CA A:ALA39 4.3 64.8 1.0
C A:SER114 4.4 56.0 1.0
CZ A:TYR144 4.4 69.4 1.0
CA A:SER114 4.5 59.2 1.0
C2 A:BMX405 4.5 77.5 1.0
C A:PHE40 4.5 74.2 1.0
O4 A:BMX405 4.7 74.8 1.0
NE2 A:GLN138 4.8 59.2 1.0
C4 A:BMX405 4.8 77.7 1.0
CZ A:ARG148 4.8 74.5 1.0
CG A:LYS115 4.9 60.2 1.0
O A:SER113 5.0 59.4 1.0

Chlorine binding site 2 out of 2 in 6yuq

Go back to Chlorine Binding Sites List in 6yuq
Chlorine binding site 2 out of 2 in the Capsule O-Acetyltransferase of Neisseria Meningitidis Serogroup A in Complex with Polysaccharide


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 in Complex with Polysaccharide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:65.1
occ:1.00
OG B:SER114 3.0 66.2 1.0
N B:PHE40 3.2 63.8 1.0
CB B:PHE40 3.4 64.6 1.0
N B:LYS115 3.5 61.4 1.0
CB B:SER114 3.5 64.2 1.0
CB B:LYS115 3.7 61.9 1.0
CD1 B:PHE40 3.8 67.5 1.0
NH1 B:ARG148 3.8 78.4 1.0
CB B:ALA39 3.8 62.9 1.0
CA B:PHE40 3.9 62.9 1.0
OH B:TYR144 4.0 74.6 1.0
CG B:PHE40 4.0 65.9 1.0
CE2 B:TYR144 4.1 68.9 1.0
CA B:LYS115 4.2 62.5 1.0
C B:ALA39 4.2 64.1 1.0
CA B:ALA39 4.3 63.3 1.0
O B:PHE40 4.4 66.9 1.0
C B:SER114 4.4 63.1 1.0
CA B:SER114 4.5 64.8 1.0
CZ B:TYR144 4.5 71.8 1.0
C B:PHE40 4.7 67.4 1.0
CZ B:ARG148 4.8 78.8 1.0
O B:SER113 4.9 63.4 1.0
CE1 B:PHE40 4.9 66.7 1.0

Reference:

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
Page generated: Sat Dec 12 14:44:39 2020

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