Calcium in PDB 3u48: From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis

The structure of From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis, PDB code: 3u48 was solved by R.P.Mcandrew, J.I.Park, W.Reindl, G.D.Friedland, P.D'haeseleer, T.Northen, K.L.Sale, B.A.Simmons, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.59 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	121.488, 121.488, 242.859, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 21.9

The binding sites of Calcium atom in the From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis (pdb code 3u48). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis, PDB code: 3u48:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca777 b:70.2 occ:1.00 OD1 A:ASP664 2.6 31.8 1.0 O A:VAL666 2.6 26.3 1.0 O A:HOH830 2.7 57.6 1.0 O A:HOH1074 2.7 38.3 1.0 O A:HOH790 2.7 25.2 1.0 O A:HOH831 2.7 94.1 1.0 O A:GLU713 3.5 27.3 1.0 CG A:ASP664 3.5 29.6 1.0 O A:PRO714 3.6 26.1 1.0 OD2 A:ASP664 3.7 28.1 1.0 C A:VAL666 3.8 26.2 1.0 CA A:GLY715 4.0 26.0 1.0 C A:PRO714 4.1 25.3 1.0 C A:GLU713 4.2 28.9 1.0 CZ A:PHE717 4.2 23.4 1.0 N A:GLY715 4.3 25.4 1.0 O A:GLU716 4.3 24.5 1.0 N A:VAL666 4.3 26.5 1.0 O A:HOH1096 4.4 31.4 1.0 CB A:GLU713 4.4 27.1 1.0 C A:GLY715 4.4 27.6 1.0 CE1 A:PHE717 4.5 24.6 1.0 N A:GLU716 4.5 28.3 1.0 CA A:VAL666 4.6 23.6 1.0 CE2 A:PHE717 4.6 24.4 1.0 O A:HOH883 4.6 35.0 1.0 O A:HOH917 4.7 29.7 1.0 N A:GLY667 4.8 26.7 1.0 CA A:GLU713 4.8 29.9 1.0 CB A:ASP664 4.9 28.1 1.0 CB A:VAL666 4.9 23.5 1.0 N A:PRO714 4.9 27.9 1.0 CA A:GLY667 4.9 26.9 1.0 N A:LEU665 5.0 26.6 1.0

Calcium binding site 2 out of 2 in the From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca777 b:77.5 occ:1.00 O B:VAL666 2.6 33.8 1.0 O B:HOH783 2.7 22.5 1.0 O B:HOH832 2.7 60.8 1.0 O B:HOH856 2.9 48.2 1.0 OD1 B:ASP664 2.9 33.1 1.0 O B:PRO714 3.4 27.6 1.0 C B:VAL666 3.7 30.2 1.0 O B:GLU713 3.7 35.0 1.0 CA B:GLY715 3.9 32.4 1.0 CG B:ASP664 3.9 34.3 1.0 C B:PRO714 4.0 29.8 1.0 OD2 B:ASP664 4.1 35.2 1.0 N B:GLY715 4.2 31.5 1.0 C B:GLU713 4.3 31.2 1.0 O B:HOH979 4.4 33.0 1.0 N B:VAL666 4.4 28.4 1.0 CB B:GLU713 4.4 28.9 1.0 CA B:VAL666 4.4 28.2 1.0 C B:GLY715 4.5 34.0 1.0 N B:GLY667 4.6 29.4 1.0 N B:GLU716 4.6 34.5 1.0 CB B:VAL666 4.6 29.1 1.0 OE1 B:GLU713 4.6 32.7 1.0 CA B:GLY667 4.6 28.7 1.0 O B:GLU716 4.7 30.5 1.0 CZ B:PHE717 4.8 27.2 1.0 O B:HOH957 4.9 34.9 1.0 N B:PRO714 4.9 30.7 1.0 CE1 B:PHE717 4.9 30.4 1.0 CA B:GLU713 4.9 29.6 1.0

R.P.Mcandrew, J.I.Park, W.Reindl, G.D.Friedland, P.D'haeseleer, T.Northen, K.L.Sale, B.A.Simmons, P.D.Adams. From Soil to Structure: A Novel Dimeric Family 3-Beta-Glucosidase Isolated From Compost Using Metagenomic Analysis To Be Published.