Magnesium in PDB 3bga: Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482

The structure of Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482, PDB code: 3bga was solved by D.Kumaran, S.K.Burley, S.Swaminathan, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.76 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	88.335, 138.864, 102.818, 90.00, 109.73, 90.00
R / Rfree (%)	20 / 23.4

The structure of Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482 (pdb code 3bga). 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 Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482, PDB code: 3bga:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482


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 Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:10.2 occ:1.00 O A:HOH1476 2.0 11.2 1.0 OE1 A:GLU438 2.1 17.2 1.0 OE1 A:GLU484 2.1 18.8 1.0 ND1 A:HIS440 2.2 14.6 1.0 O A:HOH1478 2.2 12.0 1.0 O A:HOH1477 2.3 8.1 1.0 CD A:GLU484 3.0 22.7 1.0 CE1 A:HIS440 3.0 12.3 1.0 CD A:GLU438 3.3 15.7 1.0 CG A:HIS440 3.3 13.3 1.0 CG A:GLU484 3.5 23.0 1.0 CB A:HIS440 3.8 12.7 1.0 OE2 A:GLU438 3.9 15.4 1.0 OE2 A:GLU484 3.9 26.0 1.0 OD1 A:ASN121 4.0 18.5 1.0 O A:HOH1548 4.1 26.3 1.0 NE2 A:HIS440 4.2 12.1 1.0 N A:ASP227 4.3 14.9 1.0 O A:HOH1162 4.3 19.0 1.0 CB A:ASP227 4.3 13.7 1.0 O A:CYS225 4.4 14.2 1.0 CD2 A:HIS440 4.4 13.9 1.0 ND2 A:ASN483 4.4 14.9 1.0 CG A:GLU438 4.4 15.0 1.0 O A:HOH1115 4.6 12.1 1.0 O A:HOH1593 4.7 23.1 1.0 CB A:GLU484 4.7 19.3 1.0 CA A:ASP227 4.8 14.8 1.0 O A:ASN121 4.8 18.5 1.0 C A:GLN226 4.9 15.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482


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 Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:20.6 occ:1.00 OE1 B:GLU438 1.9 18.3 1.0 OE1 B:GLU484 2.0 17.9 1.0 O B:HOH1462 2.2 13.3 1.0 O B:HOH1465 2.2 14.4 1.0 ND1 B:HIS440 2.3 20.3 1.0 O B:HOH1463 2.4 12.0 1.0 CD B:GLU438 3.1 18.5 1.0 CD B:GLU484 3.2 18.3 1.0 CE1 B:HIS440 3.2 19.5 1.0 CG B:HIS440 3.3 19.9 1.0 CB B:HIS440 3.6 17.5 1.0 OE2 B:GLU438 3.8 20.3 1.0 CB B:GLU484 4.0 16.1 1.0 OE2 B:GLU484 4.1 15.5 1.0 O B:CYS225 4.1 14.6 1.0 CG B:GLU484 4.1 16.7 1.0 OD1 B:ASN121 4.2 15.4 1.0 CG B:GLU438 4.2 18.1 1.0 N B:ASP227 4.2 12.5 1.0 O B:HOH1600 4.2 25.0 1.0 NE2 B:HIS440 4.4 21.6 1.0 CD2 B:HIS440 4.4 21.4 1.0 O B:HOH1255 4.4 24.3 1.0 CB B:ASP227 4.4 14.2 1.0 ND2 B:ASN483 4.5 18.9 1.0 O B:ASN121 4.7 19.4 1.0 C B:GLN226 4.8 13.2 1.0 CA B:GLN226 4.8 13.5 1.0 O B:HOH1602 4.8 30.4 1.0 CA B:ASP227 4.8 16.0 1.0

D.Kumaran, S.K.Burley, S.Swaminathan. Crystal Structure Analysis of Beta-Galactosidase From Bacteroides Thetaiotaomicron Vpi-5482. To Be Published.