Magnesium in PDB 7wmb: Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol

The structure of Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol, PDB code: 7wmb was solved by F.Yan, X.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.25 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.711, 99.711, 129.675, 90, 90, 90
R / Rfree (%)	15.9 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol (pdb code 7wmb). 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 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol, PDB code: 7wmb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol


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 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg400 b:28.2 occ:1.00 OD1 A:ASP293 2.1 19.6 1.0 NE2 A:HIS167 2.1 17.9 1.0 OE2 A:GLU8 2.2 20.2 1.0 O3 A:CAQ401 2.3 21.6 1.0 O A:HOH567 2.3 20.5 1.0 CG A:ASP293 2.8 25.3 1.0 CE1 A:HIS167 3.0 19.8 1.0 OD2 A:ASP293 3.1 22.2 1.0 CD2 A:HIS167 3.2 17.8 1.0 CD A:GLU8 3.2 20.3 1.0 C3 A:CAQ401 3.6 23.6 1.0 CG A:GLU8 3.7 17.6 1.0 O A:HOH626 4.0 18.6 1.0 NE2 A:HIS222 4.0 19.6 1.0 C2 A:CAQ401 4.1 21.4 1.0 O A:HOH668 4.2 18.4 1.0 ND1 A:HIS167 4.2 18.4 1.0 CB A:ASP293 4.2 21.8 1.0 O A:HOH661 4.2 26.0 1.0 CG A:HIS167 4.3 21.1 1.0 OE1 A:GLU8 4.3 17.4 1.0 CE1 A:HIS222 4.4 16.4 1.0 O A:GLU8 4.4 22.5 1.0 CA A:ASP293 4.6 19.6 1.0 C4 A:CAQ401 4.7 22.1 1.0 CB A:GLU8 4.8 18.6 1.0 O4 A:CAQ401 4.9 24.7 1.0 O A:HOH584 5.0 17.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol


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 2,3-Dihydroxybenzoate Decarboxylase Mutant W23Y From Aspergillus Oryzae in Complex with Catechol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg400 b:35.8 occ:1.00 OD1 B:ASP293 2.0 27.9 1.0 OE2 B:GLU8 2.0 20.3 1.0 NE2 B:HIS167 2.3 23.8 1.0 O3 B:CAQ401 2.3 24.8 1.0 O B:HOH626 2.5 24.2 1.0 CG B:ASP293 2.9 27.0 1.0 CE1 B:HIS167 3.1 24.9 1.0 CD B:GLU8 3.2 26.2 1.0 OD2 B:ASP293 3.2 25.2 1.0 CD2 B:HIS167 3.3 23.1 1.0 C3 B:CAQ401 3.6 25.8 1.0 CG B:GLU8 3.7 21.1 1.0 O B:HOH641 4.0 25.8 1.0 O B:HOH562 4.0 33.1 1.0 CB B:ASP293 4.1 23.8 1.0 O B:HOH592 4.2 22.7 1.0 C2 B:CAQ401 4.2 27.6 1.0 O B:GLU8 4.2 24.4 1.0 NE2 B:HIS222 4.2 26.8 1.0 OE1 B:GLU8 4.2 23.4 1.0 ND1 B:HIS167 4.3 24.0 1.0 CA B:ASP293 4.4 23.3 1.0 CG B:HIS167 4.4 23.1 1.0 CE1 B:HIS222 4.6 23.1 1.0 C4 B:CAQ401 4.7 25.3 1.0 CB B:GLU8 4.7 19.3 1.0 CD2 B:PHE296 4.8 24.6 1.0 O4 B:CAQ401 4.9 24.6 1.0 O B:ASP293 5.0 24.0 1.0

F.Yan, X.Song. Molecular Mechanism of Reversible Decarboxylase with Efficient CO2 Fixation To Be Published.