Magnesium in PDB 3niw: Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase From Bacteroides Thetaiotaomicron

The structure of Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase From Bacteroides Thetaiotaomicron, PDB code: 3niw was solved by J.B.Bonanno, U.Ramagopal, R.Toro, M.Rutter, K.T.Bain, B.Wu, J.M.Sauder, S.K.Burley, S.C.Almo, New York Sgx Research Center For Structuralgenomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.773, 72.716, 82.400, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.6

The binding sites of Magnesium atom in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase From Bacteroides Thetaiotaomicron (pdb code 3niw). 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 From Bacteroides Thetaiotaomicron, PDB code: 3niw:

Magnesium binding site 1 out of 1 in the Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase From Bacteroides Thetaiotaomicron


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 From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg278 b:31.9 occ:1.00 O A:ASP11 2.3 30.9 1.0 O A:HOH371 2.3 39.3 1.0 OD2 A:ASP219 2.4 28.8 1.0 OD2 A:ASP9 2.4 32.9 1.0 O A:HOH366 2.5 41.4 1.0 O A:HOH370 2.7 42.5 1.0 CG A:ASP9 3.3 26.1 1.0 CG A:ASP219 3.3 28.5 1.0 C A:ASP11 3.5 29.2 1.0 OD1 A:ASP219 3.6 28.8 1.0 OD2 A:ASP223 3.8 26.4 1.0 OD1 A:ASP9 4.0 25.8 1.0 CB A:ASP9 4.3 24.9 1.0 CA A:ASP11 4.4 30.0 1.0 OG1 A:THR13 4.4 24.6 1.0 N A:GLY12 4.4 27.3 1.0 N A:ASP11 4.5 28.9 1.0 CB A:ASP11 4.5 31.4 1.0 N A:GLY220 4.5 28.7 1.0 CA A:GLY12 4.5 26.8 1.0 CB A:ASP219 4.7 25.7 1.0 OD1 A:ASN222 4.7 38.6 1.0 O A:HOH322 4.7 31.2 1.0 O A:HOH359 4.8 45.7 1.0 CG A:ASP223 4.8 26.5 1.0 N A:ASP219 4.8 23.7 1.0 C A:GLY12 4.9 26.4 1.0

J.B.Bonanno, U.Ramagopal, R.Toro, M.Rutter, K.T.Bain, B.Wu, J.M.Sauder, S.K.Burley, S.C.Almo. Crystal Structure of A Haloacid Dehalogenase-Like Hydrolase From Bacteroides Thetaiotaomicron To Be Published.