Calcium in PDB 3ez8: Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius

All present enzymatic activity of Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius:
3.2.1.4;

The structure of Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius, PDB code: 3ez8 was solved by J.H.Pereira, R.Sapra, B.Simmons, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.88 / 2.30
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.059, 84.967, 129.479, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.3

The structure of Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius (pdb code 3ez8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius, PDB code: 3ez8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca538 b:19.5 occ:1.00 O A:ALA344 2.4 17.8 1.0 OD2 A:ASP302 2.4 24.1 1.0 OE2 A:GLU308 2.4 14.7 1.0 OE1 A:GLU308 2.5 15.8 1.0 OD1 A:ASP307 2.5 18.3 1.0 OD2 A:ASP307 2.5 17.0 1.0 O A:HOH544 2.6 16.1 1.0 O A:GLU304 2.6 27.4 1.0 CD A:GLU308 2.8 15.3 1.0 CG A:ASP307 2.9 17.6 1.0 CG A:ASP302 3.5 24.7 1.0 C A:ALA344 3.6 17.3 1.0 C A:GLU304 3.8 28.3 1.0 OD1 A:ASP302 3.8 24.8 1.0 O A:HOH575 4.0 19.8 1.0 CA A:ASP345 4.2 12.3 1.0 OD1 A:ASP345 4.2 13.6 1.0 N A:ASP345 4.3 12.3 1.0 CG A:GLU308 4.3 15.7 1.0 CB A:ASP307 4.4 17.8 1.0 CB A:GLU304 4.5 27.8 1.0 O A:HOH654 4.5 15.5 1.0 N A:LEU305 4.6 19.0 1.0 CA A:LEU305 4.6 18.9 1.0 CA A:GLU304 4.6 28.7 1.0 CG A:GLU304 4.7 27.6 1.0 CA A:ALA344 4.7 17.4 1.0 N A:GLU308 4.7 16.0 1.0 CB A:ASP302 4.8 25.5 1.0 N A:VAL346 4.8 16.1 1.0 O A:HOH561 4.8 15.0 1.0 CG A:ASP345 5.0 13.2 1.0 N A:ASP307 5.0 19.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca539 b:47.9 occ:1.00 O A:VAL470 1.8 51.1 1.0 O A:HOH922 2.3 47.4 1.0 O A:HOH636 2.4 25.2 1.0 O A:SER465 2.5 32.0 1.0 O A:HOH921 2.5 50.4 1.0 OD1 A:ASP468 2.6 49.3 1.0 O A:HOH858 3.0 54.0 1.0 C A:VAL470 3.0 51.6 1.0 C A:SER465 3.7 30.6 1.0 CG A:ASP468 3.7 48.0 1.0 O A:ASP471 3.7 70.7 1.0 C A:ASP471 3.9 70.6 1.0 N A:ASP471 3.9 72.2 1.0 O A:ASP468 3.9 55.0 1.0 CA A:VAL470 4.0 51.3 1.0 CA A:ASP471 4.0 73.0 1.0 O A:HIS472 4.1 44.8 1.0 N A:VAL470 4.1 52.9 1.0 OD2 A:ASP468 4.2 45.8 1.0 CB A:VAL470 4.3 48.4 1.0 CA A:SER465 4.4 27.8 1.0 C A:HIS472 4.4 45.0 1.0 N A:HIS472 4.5 49.1 1.0 C A:ASP468 4.6 54.2 1.0 N A:VAL466 4.7 26.3 1.0 N A:PRO473 4.8 23.4 1.0 CA A:PRO473 4.9 21.8 1.0 CB A:SER465 4.9 26.4 1.0 CA A:VAL466 4.9 29.1 1.0 C A:ASP469 4.9 66.5 1.0 CB A:ASP468 5.0 49.4 1.0

J.H.Pereira, R.Sapra, J.V.Volponi, C.L.Kozina, B.Simmons, P.D.Adams. Structure of Endoglucanase CEL9A From the Thermoacidophilic Alicyclobacillus Acidocaldarius Acta Crystallogr.,Sect.D V. 65 744 2009.
ISSN: ISSN 0907-4449
PubMed: 19622857
DOI: 10.1107/S0907444909012773