Magnesium in PDB 8fr9: Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08

All present enzymatic activity of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08:
3.2.1.14;

The structure of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08, PDB code: 8fr9 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)	69.59 / 1.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.113, 92.641, 105.423, 90, 90, 90
R / Rfree (%)	13.8 / 16.4

The binding sites of Magnesium atom in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08 (pdb code 8fr9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08, PDB code: 8fr9:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08


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 5.08 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:7.7 occ:0.51 O A:HOH841 4.0 36.1 1.0 O A:HOH863 4.5 35.5 1.0 O A:HOH609 4.6 17.3 1.0

Magnesium binding site 2 out of 3 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08


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 5.08 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:22.6 occ:1.00 HE1 B:HIS215 1.9 12.5 1.0 CE1 B:HIS215 2.7 10.4 1.0 O B:HOH551 2.8 11.3 1.0 OE2 B:GLU234 2.9 16.9 1.0 OE1 B:GLN322 2.9 9.2 1.0 HG3 B:PRO227 3.2 7.3 1.0 O B:HOH587 3.2 21.6 1.0 OE1 B:GLU234 3.2 16.0 1.0 O B:LEU241 3.2 6.4 1.0 CD B:GLU234 3.5 13.8 1.0 NE2 B:HIS215 3.5 12.6 1.0 HB2 B:LEU241 3.6 8.8 1.0 O B:HOH750 3.6 7.8 1.0 H B:TYR231 3.6 9.7 1.0 ND1 B:HIS215 3.8 11.1 1.0 HA B:LYS230 3.8 8.2 1.0 HG2 B:PRO227 3.9 7.3 1.0 CG B:PRO227 3.9 6.1 1.0 HD1 B:HIS215 4.0 13.3 1.0 HB2 B:TYR231 4.0 11.4 1.0 HE22 B:GLN322 4.1 5.4 1.0 CD B:GLN322 4.1 6.5 1.0 HB3 B:ASN242 4.1 6.9 1.0 C B:LEU241 4.2 5.6 1.0 O B:ASN238 4.3 10.7 0.3 CB B:LEU241 4.3 7.3 1.0 HB3 B:LEU241 4.4 8.8 1.0 N B:TYR231 4.4 8.1 1.0 O B:ASN238 4.4 9.7 0.7 NE2 B:GLN322 4.5 4.5 1.0 HD22 B:ASN242 4.5 8.2 1.0 HB2 B:PRO227 4.5 5.6 1.0 CB B:PRO227 4.6 4.6 1.0 O B:TYR229 4.7 6.7 1.0 CD2 B:HIS215 4.7 6.2 1.0 CA B:LYS230 4.7 6.8 1.0 HB3 B:PRO227 4.7 5.6 1.0 CB B:TYR231 4.8 9.5 1.0 HB3 B:TYR231 4.8 11.4 1.0 CA B:LEU241 4.8 5.7 1.0 CG B:HIS215 4.9 6.5 1.0 H B:LEU241 4.9 7.1 1.0 CG B:GLU234 5.0 13.6 1.0

Magnesium binding site 3 out of 3 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.08 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:13.4 occ:0.59 O B:HOH744 2.0 29.5 1.0 O B:SER277 2.2 13.1 0.3 O B:SER277 2.2 14.2 0.7 O B:HOH542 2.3 16.1 1.0 O B:HOH952 3.0 31.0 1.0 C B:SER277 3.4 10.9 0.3 C B:SER277 3.4 10.5 0.7 HB3 B:SER277 3.5 17.6 0.3 HB2 B:SER277 3.6 21.3 0.7 HA B:ASP278 3.9 10.2 1.0 HA B:SER277 4.0 15.1 0.7 HA B:SER277 4.0 14.6 0.3 CA B:SER277 4.2 12.2 0.3 CA B:SER277 4.2 12.6 0.7 H B:ASN279 4.3 9.5 1.0 OD1 B:ASN279 4.3 9.8 1.0 CB B:SER277 4.3 14.7 0.3 CB B:SER277 4.3 17.8 0.7 N B:ASP278 4.3 10.5 1.0 CA B:ASP278 4.6 8.5 1.0 O B:HOH778 4.6 31.1 1.0 HD21 B:ASN279 4.7 21.9 1.0 CG B:ASN279 4.8 11.2 1.0 HB2 B:SER277 4.9 17.6 0.3 N B:ASN279 4.9 7.9 1.0 ND2 B:ASN279 5.0 18.2 1.0 HB3 B:SER277 5.0 21.3 0.7

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