Magnesium in PDB 4rl3: Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis

All present enzymatic activity of Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis:
3.2.1.14;

The structure of Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis, PDB code: 4rl3 was solved by N.Umemoto, T.Numata, T.Ohnuma, T.Fukamizo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.57
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	78.626, 78.626, 167.400, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 16.5

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis (pdb code 4rl3). 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 the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis, PDB code: 4rl3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis


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 the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:14.8 occ:1.00 O A:HOH738 2.0 14.0 1.0 O A:HOH741 2.0 21.8 1.0 O A:HOH737 2.0 15.0 1.0 O A:HOH739 2.0 16.2 1.0 O A:HOH740 2.1 17.3 1.0 O A:HOH736 2.2 16.5 1.0 O A:ACT403 3.9 8.3 1.0 O A:HOH760 4.0 22.0 1.0 OXT A:ACT403 4.0 8.2 1.0 OE1 A:GLU247 4.1 10.8 1.0 O A:HOH621 4.1 17.4 1.0 O A:HOH694 4.3 24.1 1.0 OE1 A:GLN306 4.4 6.3 1.0 O A:HOH689 4.4 20.7 1.0 O A:HOH695 4.4 14.9 1.0 O A:HOH564 4.5 14.5 1.0 C A:ACT403 4.5 8.4 1.0 CB A:ASP205 4.8 9.9 1.0 O A:HOH634 4.8 15.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis


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 the Catalytic Domain of A Family GH18 Chitinase From Fern, Peteris Ryukyuensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg404 b:14.5 occ:1.00 O B:HOH736 2.0 16.1 1.0 O B:HOH733 2.0 15.3 1.0 O B:HOH734 2.0 20.1 1.0 O B:HOH735 2.1 18.4 1.0 O B:HOH738 2.1 16.8 1.0 O B:HOH737 2.1 12.8 1.0 O B:HOH716 3.8 24.3 1.0 OXT B:ACT403 4.0 9.4 1.0 O B:ACT403 4.1 9.0 1.0 OE1 B:GLU247 4.1 12.7 1.0 O B:HOH598 4.1 17.8 1.0 OE1 B:GLN306 4.3 6.6 1.0 O B:HOH642 4.3 21.9 1.0 O B:HOH739 4.4 22.2 1.0 O B:HOH732 4.5 13.2 1.0 C B:ACT403 4.5 9.2 1.0 O B:HOH694 4.7 29.3 1.0 O B:HOH566 4.8 16.3 1.0 CB B:ASP205 4.8 8.6 1.0

Y.Kitaoku, N.Umemoto, T.Ohnuma, T.Numata, T.Taira, S.Sakuda, T.Fukamizo. A Class III Chitinase Without Disulfide Bonds From the Fern, Pteris Ryukyuensis: Crystal Structure and Ligand-Binding Studies. Planta V. 242 895 2015.
ISSN: ISSN 0032-0935
PubMed: 25998529
DOI: 10.1007/S00425-015-2330-4