Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of A Thermostable Mutant of Bacillus Subtilis Adenylate Kinase (Q199R/G213E), PDB code: 2qaj:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn620 b:17.6 occ:1.00 OD2 A:ASP153 2.2 15.3 1.0 SG A:CYS133 2.3 19.6 1.0 SG A:CYS150 2.4 16.5 1.0 CB A:CYS130 2.8 20.1 1.0 CG A:ASP153 2.9 17.7 1.0 OD1 A:ASP153 2.9 18.1 1.0 CB A:CYS133 3.1 19.3 1.0 SG A:CYS130 3.1 32.2 1.0 CB A:CYS150 3.1 17.4 1.0 N A:CYS133 3.7 18.2 1.0 CA A:CYS133 3.9 18.9 1.0 CG2 A:THR135 4.3 16.4 1.0 CB A:ASP153 4.3 17.2 1.0 CA A:CYS130 4.3 16.8 1.0 N A:ASP153 4.4 18.9 1.0 CB A:VAL132 4.5 16.7 1.0 CA A:CYS150 4.6 15.7 1.0 CB A:LYS152 4.6 19.9 1.0 C A:VAL132 4.7 17.7 1.0 C A:CYS133 4.8 18.0 1.0 O A:HOH727 4.9 39.8 1.0 CA A:ASP153 5.0 17.9 1.0 C A:CYS130 5.0 15.4 1.0 N A:GLY134 5.0 17.0 1.0 N A:VAL132 5.0 14.8 1.0 CA A:VAL132 5.0 18.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn621 b:33.0 occ:1.00 OD2 B:ASP153 2.3 36.9 1.0 SG B:CYS130 2.3 24.5 1.0 SG B:CYS150 2.4 27.1 1.0 SG B:CYS133 2.5 33.8 1.0 CG B:ASP153 2.9 37.9 1.0 OD1 B:ASP153 3.0 38.6 1.0 CB B:CYS130 3.2 27.1 1.0 CB B:CYS150 3.3 26.8 1.0 CB B:CYS133 3.3 33.6 1.0 N B:CYS133 3.7 32.7 1.0 CG2 B:THR135 4.0 24.4 1.0 CA B:CYS133 4.1 32.6 1.0 N B:ASP153 4.2 36.1 1.0 CB B:ASP153 4.3 37.2 1.0 CB B:LYS152 4.4 35.1 1.0 CB B:VAL132 4.5 32.5 1.0 CA B:CYS130 4.6 27.3 1.0 CD B:LYS152 4.7 37.1 1.0 C B:VAL132 4.7 33.3 1.0 CA B:CYS150 4.7 26.1 1.0 C B:CYS133 4.8 31.6 1.0 N B:GLY134 4.8 30.4 1.0 CA B:ASP153 4.9 37.2 1.0 CG1 B:VAL132 5.0 31.6 1.0 CA B:VAL132 5.0 33.2 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.