Magnesium in PDB 2ori: Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/)

All present enzymatic activity of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/):
2.7.4.3;

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/), PDB code: 2ori was solved by R.Counago, Y.Shamoo, C.J.Wilson, G.Wu, J.Myers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.694, 75.136, 77.523, 90.00, 98.37, 90.00
R / Rfree (%)	22.8 / 26.9

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/) also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/) (pdb code 2ori). 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 (A193V/Q199R/), PDB code: 2ori:
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 (A193V/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 (A193V/Q199R/) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg423 b:10.0 occ:1.00 O A:HOH439 2.3 17.6 1.0 O A:HOH489 2.3 23.8 1.0 O2G A:AP5418 2.4 13.4 1.0 O2B A:AP5418 2.4 10.8 1.0 PG A:AP5418 3.6 13.4 1.0 PB A:AP5418 3.6 10.2 1.0 O3B A:AP5418 3.8 13.3 1.0 N A:GLY14 4.0 12.3 1.0 O3G A:AP5418 4.1 15.2 1.0 CA A:GLY14 4.1 12.7 1.0 O1E A:AP5418 4.2 13.7 1.0 OD2 A:ASP84 4.3 13.8 1.0 O2A A:AP5418 4.5 14.0 1.0 NH2 A:ARG127 4.5 9.7 1.0 O3A A:AP5418 4.5 13.5 1.0 NH2 A:ARG160 4.5 11.9 1.0 O A:HOH557 4.5 33.6 1.0 O A:HOH558 4.5 32.5 1.0 OD1 A:ASP84 4.6 12.9 1.0 O2E A:AP5418 4.6 13.2 1.0 O1B A:AP5418 4.7 14.1 1.0 O1G A:AP5418 4.7 12.6 1.0 PE A:AP5418 4.8 14.7 1.0 OD1 A:ASP33 4.9 19.2 1.0 CG A:ASP84 4.9 13.7 1.0 PA A:AP5418 4.9 13.5 1.0 OG A:SER30 4.9 14.7 1.0 NH2 A:ARG36 5.0 22.8 1.0 CB A:LYS13 5.0 12.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/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 (A193V/Q199R/) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg422 b:12.7 occ:1.00 O B:HOH436 2.3 15.7 1.0 O2B B:AP5419 2.5 11.5 1.0 O2G B:AP5419 2.5 14.8 1.0 O B:HOH454 2.5 23.0 1.0 O B:HOH435 2.5 14.4 1.0 O B:HOH496 3.0 30.4 1.0 PB B:AP5419 3.6 14.6 1.0 PG B:AP5419 3.6 16.6 1.0 O3B B:AP5419 3.8 15.3 1.0 N B:GLY14 4.0 12.7 1.0 O1E B:AP5419 4.1 16.1 1.0 O3G B:AP5419 4.1 19.2 1.0 CA B:GLY14 4.1 12.9 1.0 O B:HOH516 4.4 24.6 1.0 OD2 B:ASP84 4.4 12.5 1.0 NH2 B:ARG160 4.4 16.4 1.0 O2A B:AP5419 4.4 16.2 1.0 OD1 B:ASP84 4.5 11.8 1.0 O3A B:AP5419 4.5 15.7 1.0 O B:HOH489 4.6 25.6 1.0 O1B B:AP5419 4.7 17.6 1.0 OG B:SER30 4.7 14.9 1.0 O2E B:AP5419 4.7 16.8 1.0 NH2 B:ARG127 4.7 18.5 1.0 OD1 B:ASP33 4.7 21.3 1.0 NH2 B:ARG36 4.8 20.7 1.0 O1G B:AP5419 4.8 15.5 1.0 PE B:AP5419 4.8 16.3 1.0 PA B:AP5419 4.8 16.6 1.0 CG B:ASP84 4.8 12.8 1.0

R.Counago, Y.Shamoo, C.J.Wilson, G.Wu, J.Myers, P.Wittung-Stafshede. Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (A193V/Q199R/) To Be Published.