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

Protein crystallography data

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

Other elements in 8bgn:

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

Zinc (Zn) 3 atoms

Chlorine Binding Sites:

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 8bgn

Go back to Chlorine Binding Sites List in 8bgn
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 8bgn

Go back to Chlorine Binding Sites List in 8bgn
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

Reference:

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
Page generated: Tue Apr 4 22:36:10 2023

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