Magnesium in PDB 6d0p: 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii

The structure of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0p was solved by G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.481, 131.977, 123.987, 90.00, 103.58, 90.00
R / Rfree (%)	15.8 / 19

The structure of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii also contains other interesting chemical elements:

Manganese	(Mn)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii (pdb code 6d0p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0p:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:49.7 occ:1.00 O A:HOH416 2.1 35.2 1.0 O A:HOH651 2.1 45.6 1.0 O A:HOH690 2.1 42.1 1.0 O A:HOH519 2.2 40.3 1.0 O A:HOH525 2.3 52.9 1.0 O A:HOH605 2.3 44.7 1.0 NZ A:LYS80 4.0 49.0 1.0 OE1 A:GLN55 4.0 22.2 0.5 OE1 A:GLU106 4.0 38.5 1.0 O A:HOH534 4.2 30.9 0.5 O A:MSE287 4.2 48.3 0.7 OE2 A:GLU106 4.2 34.1 1.0 CE A:LYS80 4.5 42.9 1.0 OE1 A:GLN55 4.5 20.4 0.5 NE2 A:GLN55 4.5 22.8 0.5 CD A:GLU106 4.6 33.7 1.0 NE2 A:GLN55 4.6 22.2 0.5 CD A:GLN55 4.7 21.3 0.5 O A:HOH689 4.8 45.1 1.0 C A:MSE287 4.9 50.7 0.7 CD A:GLN55 5.0 20.7 0.5

Magnesium binding site 2 out of 2 in the 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:38.9 occ:1.00 O A:HOH622 2.1 39.0 1.0 O A:HOH717 2.1 35.7 1.0 O A:HOH618 2.1 27.3 1.0 O A:LEU153 2.1 21.1 1.0 O A:HOH510 2.3 37.0 1.0 C A:LEU153 3.3 21.0 1.0 CA A:LEU153 4.1 20.7 1.0 O A:HOH641 4.1 51.9 1.0 N A:ASP154 4.2 20.4 1.0 O A:HOH603 4.3 27.1 1.0 O A:HOH423 4.3 38.0 1.0 CA A:ASP154 4.3 21.7 1.0 ND1 A:HIS193 4.5 32.1 1.0 CB A:ASP154 4.7 22.4 1.0 CB A:LEU153 4.8 19.9 1.0 CE1 A:HIS193 5.0 33.7 1.0

G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak. 1.88 Angstrom Resolution Crystal Structure of Quercetin 2,3-Dioxygenase From Acinetobacter Baumannii To Be Published.