Magnesium in PDB 8frd: Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25

All present enzymatic activity of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25:
3.2.1.14;

The structure of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25, PDB code: 8frd was solved by R.E.Diaz, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.67 / 1.68
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.755, 92.451, 104.99, 90, 90, 90
R / Rfree (%)	13.9 / 16.8

The binding sites of Magnesium atom in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 (pdb code 8frd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25, PDB code: 8frd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.3 occ:0.75 O A:SER277 2.1 17.7 1.0 O A:HOH663 2.1 30.4 1.0 O A:HOH749 2.1 18.2 1.0 O A:HOH528 2.1 21.4 1.0 HA A:ASP278 3.2 16.9 1.0 C A:SER277 3.3 16.5 1.0 H A:ASN279 3.6 13.2 1.0 CA A:ASP278 4.0 14.1 1.0 HB3 A:SER277 4.1 27.3 1.0 N A:ASP278 4.1 13.4 1.0 OD1 A:ASP278 4.2 19.1 1.0 OD1 A:ASN279 4.3 13.3 1.0 N A:ASN279 4.3 11.0 1.0 HA A:SER277 4.4 18.2 1.0 CA A:SER277 4.4 15.2 1.0 O A:HOH789 4.4 20.9 1.0 HD22 A:ASN279 4.5 25.1 1.0 CG A:ASN279 4.7 11.9 1.0 CB A:SER277 4.7 22.8 1.0 C A:ASP278 4.7 10.4 1.0 ND2 A:ASN279 4.8 20.9 1.0 H A:ASP278 4.9 16.1 1.0

Magnesium binding site 2 out of 2 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:19.2 occ:0.72 O B:HOH681 1.9 33.5 1.0 O B:HOH523 2.2 18.1 1.0 O B:SER277 2.2 15.4 1.0 C B:SER277 3.4 14.7 1.0 HB2 B:SER277 3.6 28.8 1.0 HA B:ASP278 4.0 14.0 1.0 HA B:SER277 4.0 19.5 1.0 CA B:SER277 4.2 16.2 1.0 OD1 B:ASN279 4.2 14.6 1.0 HD22 B:ASN279 4.2 23.5 1.0 H B:ASN279 4.3 12.1 1.0 CB B:SER277 4.3 24.0 1.0 N B:ASP278 4.4 15.4 1.0 ND2 B:ASN279 4.6 19.6 1.0 CA B:ASP278 4.6 11.7 1.0 CG B:ASN279 4.6 11.9 1.0 O B:HOH804 4.9 25.2 1.0 N B:ASN279 4.9 10.1 1.0

R.E.Diaz, J.S.Fraser. Structural Characterization of Ligand Binding and pH-Specific Enzymatic Activity of Mouse Acidic Mammalian Chitinase To Be Published.