Calcium in PDB 5i79: Crystal Structure of A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar

The structure of Crystal Structure of A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar, PDB code: 5i79 was solved by W.D.Liu, J.J.Yan, Y.J.Li, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.992, 51.332, 75.358, 90.00, 95.20, 90.00
R / Rfree (%)	14.7 / 20.8

The binding sites of Calcium atom in the Crystal Structure of A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar (pdb code 5i79). 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 A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar, PDB code: 5i79:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar


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 A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:24.9 occ:1.00 O B:HOH581 2.3 19.6 1.0 O B:HOH501 2.3 22.1 1.0 O B:LEU332 2.5 28.7 1.0 OXT B:LEU332 2.5 30.1 1.0 C B:LEU332 2.9 29.1 1.0 O B:HOH589 3.0 25.4 1.0 O B:HOH505 4.0 5.4 1.0 CA B:CA405 4.0 29.0 1.0 N B:GLU29 4.1 41.4 1.0 O B:HOH573 4.1 24.3 1.0 CA B:LEU332 4.4 28.1 1.0 CA B:GLY71 4.7 26.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar


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 A Beta-1,4-Endoglucanase Mutant From Aspergillus Niger in Complex with Sugar within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca405 b:29.0 occ:1.00 O B:HOH573 2.2 24.3 1.0 O B:GLU329 2.3 22.9 1.0 OXT B:LEU332 2.4 30.1 1.0 C B:GLU329 3.4 25.3 1.0 C B:LEU332 3.6 29.1 1.0 N B:LEU332 4.0 27.4 1.0 CA B:CA404 4.0 24.9 1.0 O B:HOH581 4.2 19.6 1.0 C B:ALA330 4.2 27.0 1.0 N B:ALA330 4.2 24.1 1.0 O B:ALA330 4.2 28.8 1.0 CA B:LEU332 4.2 28.1 1.0 CA B:ALA330 4.3 26.2 1.0 CA B:GLU329 4.3 27.3 1.0 CB B:GLU329 4.5 28.5 1.0 CB B:LEU332 4.6 29.0 1.0 O B:LEU332 4.6 28.7 1.0 N B:TYR331 4.7 25.7 1.0 C B:TYR331 4.9 27.5 1.0 O B:HOH501 4.9 22.1 1.0

J.Yan, W.Liu, Y.Li, H.L.Lai, Y.Zheng, J.W.Huang, C.C.Chen, Y.Chen, J.Jin, H.Li, R.T.Guo. Functional and Structural Analysis of Pichia Pastoris-Expressed Aspergillus Niger 1,4-Beta-Endoglucanase Biochem. Biophys. Res. V. 475 8 2016COMMUN..
ISSN: ESSN 1090-2104
PubMed: 27154222
DOI: 10.1016/J.BBRC.2016.05.012