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: Sat Dec 12 05:41:40 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy