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Calcium in PDB 5ost: Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole

Enzymatic activity of Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole

All present enzymatic activity of Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole:
3.2.1.45;

Protein crystallography data

The structure of Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole, PDB code: 5ost was solved by G.J.Davies, W.A.Offen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.97 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 177.617, 54.090, 83.559, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.1

Other elements in 5ost:

The structure of Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole (pdb code 5ost). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole, PDB code: 5ost:

Calcium binding site 1 out of 1 in 5ost

Go back to Calcium Binding Sites List in 5ost
Calcium binding site 1 out of 1 in the Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Beta-Glucosidase From Thermoanaerobacterium Xylolyticum GH116 in Complex with Gluco-1H-Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca901

b:37.9
occ:1.00
 OD1 A:ASP583 2.3 23.3 0.5
O A:ILE581 2.3 33.0 1.0
OD1 A:ASP577 2.3 54.2 1.0
OD1 A:ASP575 2.4 34.5 1.0
OD1 A:ASP579 2.4 34.7 1.0
CG A:ASP583 3.0 28.4 0.5
CG A:ASP579 3.2 37.6 1.0
OD2 A:ASP583 3.3 30.1 0.5
OD2 A:ASP579 3.4 32.3 1.0
CG A:ASP577 3.5 55.5 1.0
C A:ILE581 3.5 32.8 1.0
CG A:ASP575 3.5 34.5 1.0
N A:ASP583 3.9 32.0 1.0
OD2 A:ASP577 4.0 60.9 1.0
CA A:ASP575 4.0 37.8 1.0
C A:PRO582 4.1 31.4 1.0
N A:ILE581 4.1 34.5 1.0
CB A:ASP575 4.2 34.2 1.0
CB A:ASP583 4.2 31.3 1.0
CA A:ILE581 4.2 34.5 1.0
CA A:ASP583 4.3 30.2 1.0
CB A:ILE581 4.3 34.5 1.0
O A:PRO582 4.3 34.6 1.0
N A:ASP577 4.3 50.6 1.0
OG1 A:THR600 4.4 33.2 1.0
CB A:ASP579 4.4 35.3 1.0
N A:ASP579 4.4 39.6 1.0
OD2 A:ASP575 4.4 34.5 1.0
N A:LYS576 4.4 46.5 1.0
C A:ASP575 4.5 43.1 1.0
N A:PRO582 4.5 33.6 1.0
CA A:PRO582 4.6 32.8 1.0
CB A:ASP577 4.7 49.8 1.0
N A:ASN578 4.8 42.5 1.0
CA A:ASP579 4.8 37.0 1.0
CA A:ASP577 4.9 47.6 1.0
C A:ASP577 5.0 42.4 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 Jul 15 09:52:51 2024

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