Magnesium in PDB 2qaj: Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E)

All present enzymatic activity of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E):
2.7.4.3;

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E), PDB code: 2qaj was solved by R.Counago, C.J.Wilson, J.Myers, G.Wu, Y.Shamoo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.670, 75.450, 77.570, 90.00, 98.93, 90.00
R / Rfree (%)	22.7 / 27.3

The structure of Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E) 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 (Q199R/G213E) (pdb code 2qaj). 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/G213E), PDB code: 2qaj:
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/G213E)


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/G213E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg623 b:7.7 occ:1.00 O A:HOH628 2.5 16.0 1.0 O2B A:AP5618 2.5 13.3 1.0 O2G A:AP5618 2.5 14.0 1.0 O A:HOH670 2.5 15.7 1.0 O A:HOH626 2.6 17.3 1.0 O A:HOH698 2.6 14.5 1.0 O A:HOH836 2.9 32.8 1.0 PG A:AP5618 3.6 13.9 1.0 PB A:AP5618 3.6 14.0 1.0 O3B A:AP5618 3.9 13.2 1.0 N A:GLY14 4.0 12.8 1.0 O3G A:AP5618 4.1 15.9 1.0 CA A:GLY14 4.1 13.0 1.0 O1E A:AP5618 4.2 15.6 1.0 NH2 A:ARG127 4.5 10.2 1.0 O3A A:AP5618 4.5 14.9 1.0 OD2 A:ASP84 4.5 16.9 1.0 NH2 A:ARG160 4.6 14.2 1.0 OD1 A:ASP84 4.6 16.1 1.0 O2E A:AP5618 4.6 16.8 1.0 O A:HOH689 4.7 28.9 1.0 O2A A:AP5618 4.7 17.6 1.0 O A:HOH696 4.7 36.1 1.0 O1B A:AP5618 4.7 15.3 1.0 OD1 A:ASP33 4.8 13.6 1.0 O1G A:AP5618 4.8 13.2 1.0 PE A:AP5618 4.9 15.5 1.0 OG A:SER30 4.9 12.6 1.0 PA A:AP5618 4.9 16.5 1.0 CG A:ASP84 5.0 16.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E)


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/G213E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg622 b:8.1 occ:1.00 O B:HOH659 2.5 18.6 1.0 O B:HOH691 2.5 20.9 1.0 O2G B:AP5619 2.5 16.3 1.0 O B:HOH637 2.5 20.4 1.0 O2B B:AP5619 2.7 15.1 1.0 O B:HOH841 2.9 31.9 1.0 PG B:AP5619 3.7 16.7 1.0 PB B:AP5619 3.8 15.2 1.0 O3B B:AP5619 4.0 15.7 1.0 N B:GLY14 4.0 15.1 1.0 CA B:GLY14 4.0 17.1 1.0 O1E B:AP5619 4.1 20.8 1.0 O3G B:AP5619 4.2 18.7 1.0 O B:HOH636 4.3 19.4 1.0 NH2 B:ARG160 4.4 17.0 1.0 OD2 B:ASP84 4.4 16.8 1.0 OD1 B:ASP33 4.5 19.1 1.0 OG B:SER30 4.6 14.9 1.0 O3A B:AP5619 4.6 15.1 1.0 NH2 B:ARG36 4.7 21.7 1.0 O2A B:AP5619 4.7 14.2 1.0 OD1 B:ASP84 4.7 16.2 1.0 NH2 B:ARG127 4.7 18.4 1.0 O1G B:AP5619 4.8 16.0 1.0 O2E B:AP5619 4.9 20.0 1.0 O B:HOH845 4.9 48.4 1.0 PE B:AP5619 4.9 17.8 1.0 O1B B:AP5619 4.9 18.1 1.0 CG B:ASP84 5.0 15.0 1.0

R.Counago, C.J.Wilson, J.Myers, G.Wu, Y.Shamoo, P.Wittung-Stafshede. Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E) To Be Published.