Chlorine in PDB 8bgn: N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus

The structure of N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus, PDB code: 8bgn was solved by W.Rypniewski, M.Bejger, K.Biniek-Antosiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 2.76
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.613, 150.613, 72.228, 90, 90, 120
R / Rfree (%)	17.6 / 22.7

The structure of N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus (pdb code 8bgn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus, PDB code: 8bgn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:71.5 occ:1.00 NH1 A:ARG54 3.1 74.3 1.0 CB A:ASP200 3.8 82.6 1.0 N A:ASP200 3.9 62.2 1.0 CZ A:ARG54 4.3 66.5 1.0 CA A:ASP200 4.5 65.5 1.0 NH2 A:ARG54 4.8 58.0 1.0 CA A:VAL199 4.8 57.4 1.0 C A:VAL199 4.9 60.2 1.0

Chlorine binding site 2 out of 2 in the N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N,N-Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:90.0 occ:1.00 NZ A:LYS122 3.2 101.3 1.0 CA A:SER171 4.1 64.9 1.0 N A:ASN172 4.1 65.1 1.0 CE A:LYS122 4.3 86.5 1.0 CD1 A:ILE173 4.3 78.1 1.0 C A:SER171 4.3 63.5 1.0 N A:ILE173 4.5 70.8 1.0 ND2 A:ASN172 4.5 47.5 1.0 CB A:ILE173 4.7 64.6 1.0 OG A:SER171 4.7 71.3 1.0 CG1 A:ILE173 4.7 69.8 1.0 CD A:LYS122 4.9 72.3 1.0 N A:SER171 4.9 64.4 1.0 CB A:SER171 5.0 70.1 1.0

K.Biniek-Antosiak, M.Bejger, J.Sliwiak, D.Baranowski, A.S.A.Mohammed, D.I.Svergun, W.Rypniewski. Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase From Pyrococcus Chitonophagus. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 36555375
DOI: 10.3390/IJMS232415736