Magnesium in PDB 1ods: Cephalosporin C Deacetylase From Bacillus Subtilis

All present enzymatic activity of Cephalosporin C Deacetylase From Bacillus Subtilis:
3.1.1.41;

The structure of Cephalosporin C Deacetylase From Bacillus Subtilis, PDB code: 1ods was solved by F.Vincent, S.J.Charnock, K.H.G.Verschueren, J.P.Turkenburg, D.J.Scott, W.A.Offen, S.Roberts, G.Pell, H.J.Gilbert, J.A.Brannigan, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100 / 1.9
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	315.215, 315.215, 68.483, 90.00, 90.00, 120.00
R / Rfree (%)	15.215 / 18.611

The structure of Cephalosporin C Deacetylase From Bacillus Subtilis also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Magnesium atom in the Cephalosporin C Deacetylase From Bacillus Subtilis (pdb code 1ods). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cephalosporin C Deacetylase From Bacillus Subtilis, PDB code: 1ods:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cephalosporin C Deacetylase 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 Cephalosporin C Deacetylase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1319 b:31.2 occ:1.00 O A:HOH2189 2.0 35.9 1.0 O A:HOH2099 2.0 30.7 1.0 O A:HOH2193 2.0 30.1 1.0 O A:HOH2192 2.3 26.8 1.0 O A:PHE167 4.1 8.2 1.0 O A:SER165 4.2 9.4 1.0 O A:SER166 4.2 8.9 1.0 OD1 A:ASP168 4.4 13.5 1.0 OE1 A:GLU172 4.4 25.0 1.0 C A:PHE167 4.4 9.0 1.0 CD A:GLU172 4.5 18.9 1.0 CA A:ASP168 4.5 10.1 1.0 C A:SER166 4.6 9.2 1.0 N A:ASP168 4.6 9.1 1.0 CG A:GLU172 4.7 15.1 1.0 OE2 A:GLU172 4.9 22.7 1.0 O A:VAL170 4.9 9.7 1.0

Magnesium binding site 2 out of 2 in the Cephalosporin C Deacetylase 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 Cephalosporin C Deacetylase From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1320 b:21.7 occ:1.00 O A:HOH2082 2.0 16.7 1.0 O D:HOH2079 2.1 22.7 1.0 O A:HOH2078 2.1 21.4 1.0 O D:HOH2082 2.1 20.2 1.0 O D:HOH2030 2.1 22.1 1.0 O D:HOH2032 2.1 21.5 1.0 O D:HOH2078 4.0 20.0 1.0 O A:HOH2079 4.0 22.1 1.0 O A:HOH2080 4.1 18.6 1.0 O D:HOH2083 4.1 17.1 1.0 O D:VAL47 4.3 7.5 1.0 O A:HOH2093 4.3 24.5 1.0 O A:HOH2084 4.3 25.5 1.0 O A:VAL47 4.4 7.0 1.0 OD1 A:ASP48 4.4 7.8 1.0 OD1 D:ASP48 4.5 6.7 1.0 NZ D:LYS55 4.7 13.6 0.3 O A:HOH2091 4.8 29.9 1.0 CD D:LYS55 4.8 14.4 1.0 CD A:LYS55 4.9 15.1 1.0 C D:VAL47 5.0 8.0 1.0 C A:VAL47 5.0 7.6 1.0

F.Vincent, S.J.Charnock, K.H.G.Verschueren, J.P.Turkenburg, D.J.Scott, W.A.Offen, S.Roberts, G.Pell, H.J.Gilbert, G.J.Davies, J.A.Brannigan. Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed By the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution J.Mol.Biol. V. 330 593 2003.
ISSN: ISSN 0022-2836
PubMed: 12842474
DOI: 10.1016/S0022-2836(03)00632-6