Magnesium in PDB 2eu8: Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R)

All present enzymatic activity of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R):
2.7.4.3;

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R), PDB code: 2eu8 was solved by S.Chen, Y.Shamoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.57 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.690, 75.140, 77.350, 90.00, 98.13, 90.00
R / Rfree (%)	18.7 / 22.4

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R) also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Zinc	(Zn)	2 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R) (pdb code 2eu8). 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 A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R), PDB code: 2eu8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R)


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 A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1223 b:7.3 occ:1.00 O A:HOH1427 2.3 12.9 1.0 O A:HOH1325 2.4 13.6 1.0 O A:HOH1509 2.5 17.1 1.0 O2B A:AP51218 2.5 5.9 1.0 O A:HOH1228 2.5 9.6 1.0 O2G A:AP51218 2.5 9.8 1.0 PG A:AP51218 3.6 8.7 1.0 PB A:AP51218 3.6 7.2 1.0 O3B A:AP51218 3.9 9.6 1.0 N A:GLY14 4.0 8.2 1.0 CA A:GLY14 4.1 8.4 1.0 O A:HOH1421 4.1 34.3 1.0 O3G A:AP51218 4.1 11.0 1.0 O1E A:AP51218 4.2 9.2 1.0 OD2 A:ASP84 4.3 10.8 1.0 O A:HOH1437 4.3 27.9 1.0 O3A A:AP51218 4.5 9.4 1.0 OD1 A:ASP84 4.5 12.9 1.0 NH2 A:ARG127 4.5 5.5 1.0 O2A A:AP51218 4.6 11.3 1.0 NH2 A:ARG160 4.6 8.5 1.0 O2E A:AP51218 4.6 8.6 1.0 O1B A:AP51218 4.7 8.1 1.0 O A:HOH1308 4.8 19.8 1.0 O1G A:AP51218 4.8 7.6 1.0 PE A:AP51218 4.8 9.5 1.0 CG A:ASP84 4.8 12.0 1.0 OG A:SER30 4.8 10.5 1.0 OD1 A:ASP33 4.8 12.9 1.0 PA A:AP51218 4.9 7.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R)


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 A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1222 b:9.5 occ:1.00 O B:HOH1239 2.3 13.5 1.0 O B:HOH1238 2.3 11.0 1.0 O2G B:AP51219 2.4 10.8 1.0 O2B B:AP51219 2.5 7.7 1.0 O B:HOH1440 2.5 21.1 1.0 O B:HOH1439 2.5 12.0 1.0 O B:HOH1437 3.0 33.0 1.0 PG B:AP51219 3.5 11.6 1.0 PB B:AP51219 3.6 9.1 1.0 O3B B:AP51219 3.8 10.2 1.0 O1E B:AP51219 4.0 10.5 1.0 N B:GLY14 4.1 9.2 1.0 O3G B:AP51219 4.1 15.2 1.0 CA B:GLY14 4.1 9.3 1.0 O B:HOH1325 4.2 15.2 1.0 NH2 B:ARG160 4.3 11.7 1.0 OD2 B:ASP84 4.3 9.8 1.0 O B:HOH1364 4.4 34.7 1.0 OD1 B:ASP84 4.4 8.3 1.0 O3A B:AP51219 4.4 11.2 1.0 O2A B:AP51219 4.5 14.6 1.0 OG B:SER30 4.6 9.3 1.0 O2E B:AP51219 4.6 10.9 1.0 O1B B:AP51219 4.7 10.8 1.0 O1G B:AP51219 4.7 10.6 1.0 NH2 B:ARG36 4.7 13.6 1.0 PE B:AP51219 4.7 12.0 1.0 O B:HOH1332 4.8 17.1 1.0 CG B:ASP84 4.8 8.4 1.0 PA B:AP51219 4.8 10.6 1.0 NH2 B:ARG127 4.9 13.8 1.0

R.Counago, S.Chen, Y.Shamoo. In Vivo Molecular Evolution Reveals Biophysical Origins of Organismal Fitness. Mol.Cell V. 22 441 2006.
ISSN: ISSN 1097-2765
PubMed: 16713575
DOI: 10.1016/J.MOLCEL.2006.04.012