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Sodium 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:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the Beta-Glucosidase From Thermotoga Maritima in Complex with Gluco-1H- Imidazole, PDB code: 5oss:

Sodium binding site 1 out of 1 in 5oss

Go back to Sodium Binding Sites List in 5oss
Sodium 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 Sodium with other atoms in the Na 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
B:Na504

b:31.3
occ:1.00
 O B:HOH627 1.9 40.3 1.0
O B:HOH712 2.2 49.8 1.0
O B:HOH735 2.4 44.0 0.5
O B:ASP278 2.5 30.7 1.0
OE2 B:GLU282 2.5 29.7 0.5
OE1 B:GLU282 2.6 29.4 0.5
CD B:GLU282 3.0 27.3 0.5
C B:ASP278 3.7 29.7 1.0
OG B:SER281 3.8 55.8 1.0
O B:HOH701 4.4 34.0 1.0
CG B:GLU282 4.5 29.6 0.5
CA B:ASP279 4.5 25.0 1.0
N B:ASP279 4.5 26.2 1.0
CA B:ASP278 4.6 28.4 1.0
O B:HOH630 4.7 41.7 1.0
CB B:ASP278 4.7 32.3 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: Mon Oct 7 23:15:06 2024

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