Magnesium in PDB 6lnr: Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy

The structure of Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy, PDB code: 6lnr was solved by B.Kanalelamparithi, K.S.Ramya, T.Ankur, A.Radha, K.Gunasekaran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.72 / 1.66
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.811, 84.811, 100.536, 90.00, 90.00, 120.00
R / Rfree (%)	17.3 / 19.3

The structure of Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy (pdb code 6lnr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy, PDB code: 6lnr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:21.5 occ:1.00 O A:HOH562 2.8 24.4 1.0 O A:HOH602 2.8 32.6 1.0 N A:LYS139 3.0 14.2 1.0 N A:GLU140 3.3 15.1 1.0 CB A:PHE138 3.4 17.3 0.5 CG A:LYS139 3.7 15.5 1.0 CA A:PHE138 3.7 15.3 0.5 CB A:PRO79 3.8 17.3 1.0 CA A:PHE138 3.8 15.2 0.5 C A:PHE138 3.9 13.8 1.0 CA A:LYS139 3.9 14.7 1.0 O A:GLU140 4.0 20.2 1.0 C A:LYS139 4.0 15.1 1.0 CB A:PHE138 4.1 14.5 0.5 CD1 A:PHE138 4.1 16.8 0.5 CB A:GLU140 4.2 18.6 1.0 CA A:GLU140 4.3 16.2 1.0 CB A:LYS139 4.3 14.6 1.0 N A:ALA80 4.4 16.8 1.0 CG A:PRO79 4.4 22.7 1.0 CG A:PHE138 4.5 13.4 0.5 C A:PRO79 4.5 19.6 1.0 CD1 A:PHE138 4.5 16.2 0.5 O A:HOH769 4.5 43.1 1.0 C A:GLU140 4.6 20.9 1.0 CG A:PHE138 4.6 12.2 0.5 O A:HOH564 4.7 45.0 1.0 CB A:ALA80 4.7 15.8 1.0 CG A:GLU140 4.8 27.1 1.0 CA A:PRO79 4.8 16.4 1.0 OE2 A:GLU140 4.8 41.0 1.0 O A:HOH475 4.9 32.8 1.0 CA A:ALA80 4.9 12.5 1.0 CD A:LYS139 4.9 18.1 1.0 O A:PRO79 4.9 19.3 1.0

Magnesium binding site 2 out of 2 in the Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:14.3 occ:0.42 O A:HOH782 2.0 41.1 1.0 O A:HOH455 2.0 30.7 1.0 O A:HOH511 2.0 25.7 1.0 O A:HOH737 2.1 38.8 1.0 O A:HOH722 2.1 49.2 1.0 O A:HOH721 2.2 35.6 1.0 O A:HOH709 3.9 36.6 1.0 O A:HOH659 4.0 30.1 1.0 O A:HOH603 4.0 26.4 0.7 O A:HOH726 4.3 38.9 1.0 O A:HOH558 4.3 27.0 1.0 O A:HOH467 4.3 30.0 1.0 OE1 A:GLN168 4.4 17.0 1.0 O A:GLU122 4.5 14.1 1.0 OE1 A:GLU122 4.5 16.4 1.0 CB A:GLN168 4.6 14.1 1.0 CG A:GLN168 4.6 14.6 1.0 O A:HOH547 4.9 26.1 1.0

K.E.Balu, K.S.Ramya, A.Radha, G.Krishnasamy. Structure of Intact Chitinase with Hevein Domain From the Plant Simarouba Glauca, Known For Its Traditional Anti-Inflammatory Efficacy. Int.J.Biol.Macromol. V. 161 1381 2020.
ISSN: ISSN 0141-8130
PubMed: 32750481
DOI: 10.1016/J.IJBIOMAC.2020.07.284