Calcium in PDB 3oea: Crystal Structure of the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose

The structure of Crystal Structure of the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose, PDB code: 3oea was solved by V.Agarwal, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.35
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	32.393, 48.375, 48.985, 62.50, 85.11, 86.22
R / Rfree (%)	17.5 / 20.4

The binding sites of Calcium atom in the Crystal Structure of the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose (pdb code 3oea). 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 the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose, PDB code: 3oea:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose


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 the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:7.2 occ:1.00 O A:LEU36 2.3 7.3 1.0 O A:HOH311 2.3 9.5 1.0 O A:GLY9 2.4 9.1 1.0 O A:ASN33 2.4 9.4 1.0 OE2 A:GLU11 2.4 9.4 1.0 OD1 A:ASP137 2.5 7.4 1.0 OD2 A:ASP137 2.6 7.2 1.0 CG A:ASP137 2.9 7.5 1.0 C A:GLY9 3.4 9.1 1.0 C A:ASN33 3.5 9.7 1.0 C A:LEU36 3.5 7.2 1.0 CD A:GLU11 3.5 9.6 1.0 CA A:GLY9 3.8 9.4 1.0 CG A:GLU11 4.1 9.5 1.0 N A:LEU36 4.2 7.5 1.0 N A:ASN33 4.3 9.5 1.0 CA A:ASN33 4.3 10.0 1.0 OD1 A:ASP138 4.4 11.8 1.0 N A:GLY34 4.4 9.2 1.0 CA A:LEU36 4.4 7.4 1.0 N A:GLY37 4.4 7.1 1.0 CB A:ASP137 4.4 7.7 1.0 CA A:GLY34 4.4 8.9 1.0 CA A:GLY37 4.5 7.2 1.0 CB A:ASN33 4.6 10.8 1.0 OE1 A:GLU11 4.6 9.6 1.0 N A:PHE10 4.6 9.0 1.0 CB A:ALA31 4.7 8.0 1.0 C A:GLY34 4.7 8.6 1.0 O A:HOH367 4.8 14.4 1.0 N A:ALA35 4.8 8.1 1.0 CA A:ALA31 4.8 8.0 1.0 N A:GLU11 4.9 9.2 1.0 C A:PHE10 5.0 8.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose


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 the Q121E Mutants of C.Polysaccharolyticus CBM16- 1 Bound to Cellopentaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca200 b:7.2 occ:1.00 O B:LEU36 2.3 7.3 1.0 O B:ASN33 2.4 8.7 1.0 OE2 B:GLU11 2.4 8.3 1.0 O B:GLY9 2.4 8.0 1.0 O B:HOH304 2.4 8.6 1.0 OD1 B:ASP137 2.5 7.9 1.0 OD2 B:ASP137 2.6 7.9 1.0 CG B:ASP137 2.9 7.8 1.0 C B:GLY9 3.4 7.9 1.0 C B:ASN33 3.5 9.0 1.0 C B:LEU36 3.5 7.3 1.0 CD B:GLU11 3.5 8.8 1.0 CA B:GLY9 3.7 8.0 1.0 CG B:GLU11 4.1 8.8 1.0 N B:LEU36 4.2 8.0 1.0 N B:ASN33 4.3 9.3 1.0 CA B:ASN33 4.4 9.3 1.0 N B:GLY34 4.4 8.6 1.0 CA B:LEU36 4.4 7.6 1.0 CA B:GLY34 4.4 8.9 1.0 N B:GLY37 4.4 7.0 1.0 CB B:ASP137 4.5 7.6 1.0 O A:HOH369 4.5 12.3 1.0 CA B:GLY37 4.5 7.1 1.0 OD1 B:ASP138 4.5 10.4 1.0 OE1 B:GLU11 4.6 8.7 1.0 CB B:ASN33 4.6 9.7 1.0 N B:PHE10 4.6 7.6 1.0 C B:GLY34 4.7 8.7 1.0 N B:ALA35 4.8 8.4 1.0 N B:GLU11 4.8 8.5 1.0 CB B:ALA31 4.9 7.8 1.0

X.Su, V.Agarwal, D.Dodd, B.Bae, R.I.Mackie, S.K.Nair, I.K.Cann. Mutational Insights Into the Roles of Amino Acid Residues in Ligand Binding For Two Closely Related Family 16 Carbohydrate Binding Modules. J.Biol.Chem. V. 285 34665 2010.
ISSN: ISSN 0021-9258
PubMed: 20739280
DOI: 10.1074/JBC.M110.168302