Magnesium in PDB 5i2u: Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome

The structure of Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome, PDB code: 5i2u was solved by R.Garg, V.Brahma, R.Srivastava, L.Verma, S.Karthikeyan, G.Sahni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.77 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.766, 88.128, 146.470, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.7

The binding sites of Magnesium atom in the Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome (pdb code 5i2u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome, PDB code: 5i2u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:38.6 occ:1.00 OD1 A:ASP169 2.0 28.0 1.0 O A:HOH509 2.1 21.2 1.0 OD1 A:ASP167 2.1 49.4 1.0 OD1 A:ASN170 2.1 24.4 1.0 O A:GLY131 2.2 28.2 1.0 O A:HOH531 2.4 40.5 1.0 CG A:ASP169 3.0 32.5 1.0 CG A:ASP167 3.1 46.8 1.0 CG A:ASN170 3.2 24.2 1.0 C A:GLY131 3.4 34.5 1.0 OD2 A:ASP169 3.4 33.6 1.0 OD2 A:ASP167 3.5 45.5 1.0 N A:ASN170 3.8 29.3 1.0 ND2 A:ASN170 4.0 24.7 1.0 CB A:ASN170 4.1 28.4 1.0 N A:ASP169 4.2 35.1 1.0 O A:HOH540 4.2 28.9 1.0 N A:GLU132 4.3 34.9 1.0 CA A:GLY131 4.3 33.8 1.0 CB A:ASP169 4.3 33.8 1.0 CA A:GLU132 4.3 38.6 1.0 CB A:ASP167 4.3 41.8 1.0 CA A:ASP167 4.5 40.1 1.0 CA A:ASN170 4.5 29.1 1.0 CA A:ASP169 4.5 33.4 1.0 C A:ASP169 4.5 34.0 1.0 CD A:PRO168 4.5 41.4 1.0 C A:ASP167 4.7 41.7 1.0 N A:PRO168 4.7 39.9 1.0 C A:GLU132 4.8 37.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A Novel Halo-Tolerant Cellulase From Soil Metagenome within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg405 b:38.0 occ:1.00 O B:HOH538 1.9 34.6 1.0 O B:GLY131 2.0 33.4 1.0 OD1 B:ASP169 2.1 35.7 1.0 OD1 B:ASN170 2.1 36.5 1.0 OD1 B:ASP167 2.3 31.8 1.0 O B:HOH535 2.3 32.1 1.0 CG B:ASP169 3.1 37.5 1.0 CG B:ASN170 3.2 34.1 1.0 C B:GLY131 3.2 33.0 1.0 CG B:ASP167 3.2 33.6 1.0 OD2 B:ASP169 3.5 45.5 1.0 OD2 B:ASP167 3.6 32.3 1.0 ND2 B:ASN170 4.0 29.9 1.0 N B:ASN170 4.0 31.8 1.0 CA B:GLU132 4.0 40.1 1.0 N B:GLU132 4.0 35.5 1.0 O B:HOH542 4.2 34.0 1.0 CB B:ASN170 4.2 31.4 1.0 CA B:GLY131 4.2 32.3 1.0 N B:ASP169 4.4 35.2 1.0 CB B:ASP169 4.4 37.2 1.0 CB B:ASP167 4.5 35.5 1.0 C B:GLU132 4.5 39.8 1.0 CA B:ASN170 4.6 30.9 1.0 CA B:ASP169 4.7 36.0 1.0 CA B:ASP167 4.7 36.0 1.0 C B:ASP169 4.7 34.9 1.0 CD B:PRO168 4.8 38.8 1.0 O B:GLU132 4.8 40.5 1.0 C B:ASP167 4.9 35.7 1.0

R.Garg, R.Srivastava, V.Brahma, L.Verma, S.Karthikeyan, G.Sahni. Biochemical and Structural Characterization of A Novel Halotolerant Cellulase From Soil Metagenome Sci Rep V. 6 39634 2016.
ISSN: ESSN 2045-2322
PubMed: 28008971
DOI: 10.1038/SREP39634