Magnesium in PDB 6njc: Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus

The structure of Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus, PDB code: 6njc was solved by Y.Kim, H.Li, L.Biglow, R.Jedrzejczak, G.Babnigg, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.10 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	101.046, 101.046, 100.180, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 18.2

The structure of Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus (pdb code 6njc). 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 the Sialate O-Acetylesterase From Bacteroides Vulgatus, PDB code: 6njc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus


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 the Sialate O-Acetylesterase From Bacteroides Vulgatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:27.2 occ:1.00 O A:PRO194 2.3 26.9 1.0 O A:THR197 2.3 21.5 1.0 O A:HOH501 2.3 33.8 1.0 OH A:TYR146 2.3 25.8 1.0 O A:HOH505 2.8 51.0 1.0 C A:PRO194 3.4 31.4 1.0 CZ A:TYR146 3.4 27.8 1.0 C A:THR197 3.5 22.1 1.0 CE2 A:TYR146 3.9 24.2 1.0 CA A:PRO194 4.1 27.7 1.0 CB A:PRO194 4.1 28.1 1.0 CA A:ASN198 4.1 24.2 1.0 N A:ASN198 4.2 20.8 1.0 N A:THR197 4.3 21.1 1.0 N A:VAL195 4.3 33.0 1.0 CD1 A:LEU204 4.3 23.8 1.0 CA A:VAL195 4.5 36.0 1.0 CA A:THR197 4.5 21.0 1.0 CE1 A:TYR146 4.5 29.0 1.0 C A:VAL195 4.6 27.0 1.0 CB A:ASN198 4.8 23.6 1.0 O A:VAL195 4.8 28.4 1.0 CG2 A:THR197 4.9 24.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus


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 the Sialate O-Acetylesterase From Bacteroides Vulgatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:27.3 occ:1.00 O B:THR197 2.3 22.7 1.0 OH B:TYR146 2.3 28.9 1.0 O B:PRO194 2.3 28.2 1.0 O B:HOH515 2.4 34.3 1.0 O B:HOH521 2.8 57.8 1.0 C B:PRO194 3.4 31.6 1.0 CZ B:TYR146 3.4 31.7 1.0 C B:THR197 3.5 22.1 1.0 CE2 B:TYR146 3.8 25.0 1.0 CA B:PRO194 4.1 29.4 1.0 CB B:PRO194 4.1 30.6 1.0 CA B:ASN198 4.1 21.7 1.0 N B:ASN198 4.2 19.9 1.0 N B:THR197 4.3 22.1 1.0 CD1 B:LEU204 4.3 24.6 1.0 N B:VAL195 4.4 29.6 1.0 O A:HOH471 4.4 51.1 1.0 CA B:VAL195 4.5 32.6 1.0 CE1 B:TYR146 4.5 32.8 1.0 CA B:THR197 4.5 20.3 1.0 C B:VAL195 4.6 29.4 1.0 CB B:ASN198 4.8 25.7 1.0 O B:VAL195 4.8 29.9 1.0

Y.Kim, H.Li, L.Biglow, R.Jedrzejczak, G.Babnigg, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of the Sialate O-Acetylesterase From Bacteroides Vulgatus To Be Published.