Magnesium in PDB 4dwo: Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II

The structure of Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II, PDB code: 4dwo was solved by M.W.Vetting, S.R.Wasserman, L.L.Morisco, S.Sojitra, K.N.Allen, D.Dunaway-Mariano, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.16 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.696, 68.178, 96.645, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.2

The binding sites of Magnesium atom in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II (pdb code 4dwo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II, PDB code: 4dwo:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II


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 A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:16.8 occ:1.00 OD2 A:ASP9 2.0 20.5 1.0 O A:ASP11 2.1 21.5 1.0 OD1 A:ASP219 2.1 16.9 1.0 O A:HOH411 2.1 25.1 1.0 O A:HOH443 2.1 28.1 1.0 O A:HOH415 2.1 20.8 1.0 CG A:ASP9 3.1 20.0 1.0 CG A:ASP219 3.1 18.7 1.0 C A:ASP11 3.3 18.3 1.0 OD2 A:ASP219 3.4 21.3 1.0 OD1 A:ASP9 3.5 17.9 1.0 OD2 A:ASP223 3.8 18.0 1.0 CA A:ASP11 4.2 17.0 1.0 OG1 A:THR13 4.2 14.5 1.0 N A:ASP11 4.2 17.2 1.0 N A:GLY12 4.2 17.6 1.0 O A:HOH572 4.3 39.6 1.0 CB A:ASP9 4.3 14.0 1.0 CA A:GLY12 4.3 17.1 1.0 N A:GLY220 4.4 17.1 1.0 CB A:ASP11 4.4 18.6 1.0 CB A:ASP219 4.5 14.6 1.0 O A:HOH533 4.6 49.6 1.0 C A:GLY12 4.7 16.2 1.0 N A:ASP219 4.7 16.6 1.0 OD1 A:ASN222 4.7 31.0 1.0 N A:THR13 4.8 15.5 1.0 CA A:GLY220 4.9 18.8 1.0 O A:HOH407 4.9 19.3 1.0 C A:LEU10 4.9 17.1 1.0 CG A:ASP223 4.9 15.9 1.0 CA A:ASP219 4.9 16.9 1.0 O A:HOH404 5.0 16.2 1.0 O A:HOH567 5.0 47.2 1.0 CB A:THR13 5.0 11.9 1.0

M.W.Vetting, S.R.Wasserman, L.L.Morisco, S.Sojitra, K.N.Allen, D.Dunaway-Mariano, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase (Target Efi-900331) From Bacteroides Thetaiotaomicron with Bound Mg Crystal Form II To Be Published.