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Chlorine in PDB 5oss: Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole

Enzymatic activity of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole

All present enzymatic activity of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole:
3.2.1.21;

Protein crystallography data

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole, PDB code: 5oss was solved by W.A.Offen, S.P.Schroeder, G.J.Davies, H.S.Overkleeft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.77 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.316, 94.616, 113.443, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 22.2

Other elements in 5oss:

The structure of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole (pdb code 5oss). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole, PDB code: 5oss:

Chlorine binding site 1 out of 1 in 5oss

Go back to Chlorine Binding Sites List in 5oss
Chlorine binding site 1 out of 1 in the Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:48.6
occ:1.00
 O A:HOH718 3.0 35.4 1.0
N A:ARG137 3.4 24.1 1.0
O A:HOH619 3.5 35.8 1.0
CG A:ARG137 3.9 31.8 1.0
CB A:ARG137 3.9 26.9 1.0
OD1 A:ASN136 3.9 24.3 1.0
CA A:ASN136 4.1 22.2 1.0
C A:ASN136 4.2 22.4 1.0
O A:ALA135 4.3 24.2 1.0
CA A:ARG137 4.3 25.2 1.0
CD A:ARG137 4.5 30.8 1.0
CG A:ASN136 4.6 23.3 1.0
CB A:ASN136 4.9 22.1 1.0
O A:HOH804 5.0 44.0 1.0

Reference:

S.P.Schroder, L.Wu, M.Artola, T.Hansen, W.A.Offen, M.J.Ferraz, K.Y.Li, J.M.F.G.Aerts, G.A.Van Der Marel, J.D.C.Codee, G.J.Davies, H.S.Overkleeft. Gluco-1 H-Imidazole: A New Class of Azole-Type Beta-Glucosidase Inhibitor. J. Am. Chem. Soc. V. 140 5045 2018.
ISSN: ESSN 1520-5126
PubMed: 29601200
DOI: 10.1021/JACS.8B02399
Page generated: Fri Jul 26 14:46:26 2024

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