Magnesium in PDB 3fef: Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis

All present enzymatic activity of Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis:
3.2.1.67;

The structure of Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis, PDB code: 3fef was solved by U.A.Ramagopal, K.R.Rajashankar, R.Toro, S.K.Burley, S.C.Almo, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	81.987, 84.843, 86.051, 69.80, 68.10, 64.07
R / Rfree (%)	18.7 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis (pdb code 3fef). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis, PDB code: 3fef:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis


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 Putative Glucosidase Lpld From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:39.0 occ:1.00 NE2 A:HIS210 2.3 23.5 1.0 O A:HOH457 2.3 59.7 1.0 O A:HOH469 2.3 32.7 1.0 O A:HOH758 2.4 42.9 1.0 SG A:CYS173 2.6 26.2 1.0 CD2 A:HIS210 3.2 21.7 1.0 CE1 A:HIS210 3.3 23.7 1.0 CB A:CYS173 3.8 26.9 1.0 CG A:GLU175 4.0 35.4 1.0 O A:HOH560 4.1 31.9 1.0 OD1 A:ASN209 4.3 27.7 1.0 CG A:HIS210 4.4 20.5 1.0 ND1 A:HIS210 4.4 22.1 1.0 ND2 A:ASN209 4.4 26.4 1.0 CA A:CYS173 4.4 26.7 1.0 ND2 A:ASN151 4.5 33.4 1.0 OD1 A:ASN151 4.5 37.6 1.0 OE2 A:GLU175 4.6 35.7 1.0 N A:HIS174 4.6 28.2 1.0 O A:HOH531 4.7 37.6 1.0 CD A:GLU175 4.8 34.8 1.0 CG A:ASN209 4.8 26.0 1.0 CB A:GLU175 4.9 29.2 1.0 N A:GLU175 4.9 26.4 1.0 CE1 A:HIS276 4.9 30.1 1.0 CG A:ASN151 5.0 33.0 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis


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 Putative Glucosidase Lpld From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg456 b:32.6 occ:1.00 O B:HOH765 2.1 33.5 1.0 NE2 B:HIS210 2.2 25.0 1.0 O B:HOH766 2.3 49.4 1.0 SG B:CYS173 2.5 30.6 1.0 O B:HOH767 2.5 32.1 1.0 CD2 B:HIS210 3.2 23.6 1.0 CE1 B:HIS210 3.2 25.3 1.0 CB B:CYS173 3.8 27.1 1.0 CG B:GLU175 4.0 29.3 1.0 O B:HOH562 4.0 36.5 1.0 OD1 B:ASN209 4.2 27.2 1.0 ND1 B:HIS210 4.3 22.8 1.0 ND2 B:ASN151 4.3 32.5 1.0 CG B:HIS210 4.3 23.5 1.0 OD1 B:ASN151 4.3 34.8 1.0 ND2 B:ASN209 4.4 26.7 1.0 CA B:CYS173 4.4 28.6 1.0 N B:HIS174 4.7 27.7 1.0 OE2 B:GLU175 4.8 31.9 1.0 CG B:ASN209 4.8 24.1 1.0 CG B:ASN151 4.8 32.1 1.0 O B:HOH551 4.8 38.6 1.0 CD B:GLU175 4.9 30.4 1.0 CB B:GLU175 5.0 25.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1 b:35.0 occ:1.00 O C:HOH455 2.0 34.9 1.0 NE2 C:HIS210 2.3 24.7 1.0 SG C:CYS173 2.6 28.4 1.0 O C:HOH563 3.1 71.0 1.0 CE1 C:HIS210 3.2 23.9 1.0 CD2 C:HIS210 3.3 22.6 1.0 CB C:CYS173 3.7 28.1 1.0 O C:HOH505 4.1 35.5 1.0 OD1 C:ASN209 4.1 27.9 1.0 CG C:GLU175 4.2 30.8 1.0 ND2 C:ASN209 4.2 25.0 1.0 OD1 C:ASN151 4.3 35.3 1.0 ND1 C:HIS210 4.3 23.7 1.0 CA C:CYS173 4.4 28.5 1.0 ND2 C:ASN151 4.4 33.9 1.0 CG C:HIS210 4.4 20.7 1.0 N C:HIS174 4.6 30.8 1.0 CG C:ASN209 4.6 26.3 1.0 O C:HOH548 4.7 39.8 1.0 CG C:ASN151 4.8 32.0 1.0 CE C:MSE153 4.9 34.9 1.0 OE2 C:GLU175 4.9 36.7 1.0 C C:CYS173 5.0 29.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1 b:37.8 occ:1.00 O D:HOH760 2.3 30.2 1.0 NE2 D:HIS210 2.4 26.5 1.0 O D:HOH761 2.4 44.8 1.0 SG D:CYS173 2.5 32.1 1.0 CD2 D:HIS210 3.3 25.4 1.0 CE1 D:HIS210 3.4 24.5 1.0 CB D:CYS173 3.6 30.6 1.0 CG D:GLU175 4.1 32.0 1.0 O D:HOH499 4.1 33.5 1.0 OD1 D:ASN209 4.2 28.3 1.0 CA D:CYS173 4.3 31.1 1.0 ND2 D:ASN209 4.4 28.5 1.0 ND1 D:HIS210 4.5 24.0 1.0 CG D:HIS210 4.5 23.2 1.0 ND2 D:ASN151 4.5 34.9 1.0 OD1 D:ASN151 4.5 38.6 1.0 N D:HIS174 4.5 31.1 1.0 CG D:ASN209 4.8 28.0 1.0 OE2 D:GLU175 4.9 34.0 1.0 C D:CYS173 4.9 31.2 1.0 N D:GLU175 4.9 27.3 1.0 O D:HOH627 4.9 49.8 1.0 CG D:ASN151 4.9 33.1 1.0 CB D:GLU175 4.9 28.7 1.0 CD D:GLU175 5.0 32.7 1.0

U.A.Ramagopal, K.R.Rajashankar, R.Toro, S.K.Burley, S.C.Almo. Crystal Structure of Putative Glucosidase Lpld From Bacillus Subtilis. To Be Published.