Magnesium in PDB 3umb: Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362

All present enzymatic activity of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362:
3.8.1.2;

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362, PDB code: 3umb was solved by P.Petit, P.W.Y.Chan, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.67 / 2.20
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.380, 129.570, 54.300, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.3

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362 also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362 (pdb code 3umb). 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 L-2-Haloacid Dehalogenase RSC1362, PDB code: 3umb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362


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 L-2-Haloacid Dehalogenase RSC1362 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg240 b:33.1 occ:0.50 OD1 A:ASP42 2.3 27.8 1.0 O A:HOH301 2.4 33.1 1.0 OD1 A:ASP46 3.0 18.1 1.0 O A:HOH286 3.1 28.6 1.0 CG A:ASP42 3.3 25.9 1.0 OD2 A:ASP46 3.6 21.3 1.0 CG A:ASP46 3.6 19.1 1.0 OD2 A:ASP42 3.7 26.9 1.0 O A:HOH255 4.1 27.3 0.5 CB A:ASP42 4.6 22.9 1.0 O A:ASP42 4.6 19.7 1.0 CA A:ASP42 4.9 22.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the L-2-Haloacid Dehalogenase RSC1362


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 L-2-Haloacid Dehalogenase RSC1362 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg241 b:30.4 occ:0.50 O A:ALA77 2.4 22.1 1.0 OD1 A:ASN80 2.5 20.0 1.0 O A:HOH305 3.1 24.8 0.5 C A:ALA77 3.4 21.7 1.0 CG A:ASN80 3.7 22.6 1.0 O A:HOH250 3.7 27.2 1.0 CA A:ALA77 4.1 21.9 1.0 CA A:ASN80 4.3 25.4 1.0 N A:ARG78 4.5 21.5 1.0 N A:ASN80 4.5 24.2 1.0 ND2 A:ASN80 4.5 19.8 1.0 CB A:ASN80 4.6 24.9 1.0 CB A:ALA77 4.7 22.1 1.0 CA A:ARG78 4.8 20.7 1.0 C A:ARG78 4.9 20.5 1.0 O A:ARG78 5.0 17.4 1.0

P.W.Y.Chan, T.K.W.To, P.Petit, C.Tran, M.Waelti, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai. Structural Adaptations of L-2-Haloacid Dehalogenases That Enable Hydrolytic Defluorination To Be Published.