Calcium in PDB 1g9j: X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide

All present enzymatic activity of X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide:
3.2.1.4;

The structure of X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide, PDB code: 1g9j was solved by G.Parsiegla, C.Tardif, J.P.Belaich, H.Driguez, R.Haser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.76 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.480, 84.720, 121.810, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.7

The structure of X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide (pdb code 1g9j). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide, PDB code: 1g9j:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1383 b:16.6 occ:1.00 O A:GLN185 2.3 14.0 1.0 O A:HOH1613 2.4 16.6 1.0 OE2 A:GLU190 2.4 14.3 1.0 O A:HOH1664 2.4 19.8 1.0 OD2 A:ASP405 2.5 16.4 1.0 OE1 A:GLN185 2.5 20.9 1.0 OE1 A:GLU190 2.6 15.2 1.0 CD A:GLU190 2.8 14.6 1.0 C A:GLN185 3.4 14.6 1.0 CG A:ASP405 3.5 16.1 1.0 CD A:GLN185 3.7 19.9 1.0 CB A:ASP405 4.0 16.0 1.0 CB A:GLN185 4.0 16.6 1.0 CA A:GLN185 4.1 15.7 1.0 NH2 A:ARG549 4.2 18.2 1.0 CG A:GLU190 4.3 13.7 1.0 CG A:GLN185 4.4 18.9 1.0 N A:SER187 4.4 12.8 1.0 N A:GLU186 4.5 13.7 1.0 O A:HOH1649 4.6 35.9 1.0 OD1 A:ASP405 4.6 16.5 1.0 O A:HOH1727 4.7 35.6 1.0 NE2 A:GLN185 4.7 20.3 1.0 O A:HOH1754 4.7 39.9 1.0 OG A:SER187 4.7 12.0 1.0 CA A:GLU186 4.7 13.3 1.0 CB A:SER187 4.8 12.4 1.0 O A:HOH1665 4.9 22.6 1.0

Calcium binding site 2 out of 2 in the X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Tal Structure of the Mutant E44Q of the Cellulase CEL48F in Complex with A Thiooligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1384 b:36.8 occ:1.00 O A:TRP465 2.4 21.9 1.0 O A:HOH1667 2.4 33.3 1.0 O A:HOH1666 2.5 30.6 1.0 OE1 A:GLU399 2.5 20.0 1.0 OE2 A:GLU399 2.6 20.1 1.0 O A:HOH1614 2.9 35.9 1.0 CD A:GLU399 2.9 19.4 1.0 C A:TRP465 3.5 21.8 1.0 N A:GLU466 4.3 22.7 1.0 CA A:GLU466 4.3 23.9 1.0 OD1 A:ASP464 4.4 23.9 1.0 CA A:TRP465 4.4 21.3 1.0 CG A:GLU399 4.4 18.4 1.0 O A:HOH1565 4.5 33.2 1.0 N A:TRP465 4.6 20.9 1.0 CB A:TRP465 4.7 20.3 1.0 O A:HOH1486 4.7 23.9 1.0 O A:HOH1753 4.7 33.9 1.0 CG A:GLU466 4.9 28.9 1.0 OD2 A:ASP464 4.9 24.4 1.0

G.Parsiegla, C.Reverbel, C.Tardif, H.Driguez, R.Haser. Structures of Mutants of Cellulase CEL48F of Clostridium Cellulolyticum in Complex with Long Hemithiocellooligosaccharides Give Rise to A New View of the Substrate Pathway During Processive Action J.Mol.Biol. V. 375 499 2008.
ISSN: ISSN 0022-2836
PubMed: 18035374
DOI: 10.1016/J.JMB.2007.10.039