Magnesium in PDB 3vzz: Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168

The structure of Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168, PDB code: 3vzz was solved by F.Ren, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, H.C.Chan, Y.L.Liu, K.Wang, C.C.Chen, X.Pang, M.He, Y.Li, E.Oldfield, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.06 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.136, 56.078, 77.523, 90.00, 108.04, 90.00
R / Rfree (%)	17.8 / 24.6

The structure of Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168 (pdb code 3vzz). 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 Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168, PDB code: 3vzz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:44.5 occ:1.00 O A:PHE58 2.2 25.0 1.0 O A:HOH555 2.2 37.6 1.0 O A:HOH479 2.3 30.4 1.0 O A:ARG56 2.4 26.3 1.0 O A:HOH481 2.5 24.8 1.0 O A:HOH480 2.5 25.6 1.0 C A:PHE58 3.4 23.0 1.0 C A:ARG56 3.4 24.9 1.0 N A:PHE58 3.8 23.5 1.0 CA A:ARG56 4.0 25.6 1.0 OD2 A:ASP77 4.1 29.9 1.0 O A:VAL60 4.2 16.6 1.0 CA A:PHE58 4.2 23.0 1.0 C A:ARG57 4.3 23.2 1.0 CA A:LEU59 4.3 21.8 1.0 N A:LEU59 4.3 22.5 1.0 N A:ARG57 4.4 24.3 1.0 O A:VAL55 4.4 22.2 1.0 C A:LEU59 4.4 21.1 1.0 O A:LEU59 4.4 22.0 1.0 O A:HOH482 4.6 40.2 1.0 OD1 A:ASP77 4.6 30.1 1.0 CA A:ARG57 4.7 24.9 1.0 CG A:ASP77 4.8 28.8 1.0 CB A:ARG56 4.8 28.4 1.0 O A:ARG57 4.9 22.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168


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 Pcrb Complexed with Fspp From Bacillus Subtilis Subap. Subtilis Str. 168 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:26.7 occ:1.00 O B:HOH439 2.2 24.4 1.0 O B:HOH533 2.3 40.3 1.0 O B:ARG56 2.3 27.8 1.0 O B:PHE58 2.4 23.4 1.0 O B:HOH440 2.5 25.8 1.0 O B:HOH512 3.0 38.2 1.0 C B:ARG56 3.3 28.1 1.0 C B:PHE58 3.6 25.4 1.0 CA B:ARG56 3.9 29.1 1.0 O B:VAL60 4.0 18.3 1.0 OD2 B:ASP77 4.1 22.1 1.0 N B:PHE58 4.1 27.8 1.0 O B:VAL55 4.3 27.8 1.0 C B:ARG57 4.3 29.7 1.0 N B:ARG57 4.4 28.8 1.0 CA B:PHE58 4.4 25.4 1.0 OD1 B:ASP77 4.5 25.7 1.0 N B:LEU59 4.5 23.6 1.0 CA B:LEU59 4.6 23.0 1.0 C B:LEU59 4.6 23.0 1.0 O B:LEU59 4.6 21.5 1.0 CB B:ARG56 4.7 31.1 1.0 CG B:ASP77 4.7 19.9 1.0 CA B:ARG57 4.8 30.0 1.0 SG B:CYS62 4.8 23.1 1.0 O B:ARG57 4.8 31.6 1.0 N B:ARG56 5.0 27.1 1.0 C B:VAL60 5.0 19.5 1.0

F.Ren, X.Feng, T.P.Ko, C.H.Huang, Y.Hu, H.C.Chan, Y.L.Liu, K.Wang, C.C.Chen, X.Pang, M.He, Y.Li, E.Oldfield, R.T.Guo. Insights Into Tim-Barrel Prenyl Transferase Mechanisms: Crystal Structures of Pcrb From Bacillus Subtilis and Staphylococcus Aureus Chembiochem V. 14 195 2013.
ISSN: ISSN 1439-4227
PubMed: 23322418
DOI: 10.1002/CBIC.201200748