Magnesium in PDB 4wrr: A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne

All present enzymatic activity of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne:
2.7.1.107;

The structure of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne, PDB code: 4wrr was solved by J.Hou, H.Zheng, D.R.Cooper, M.D.Zimmerman, W.F.Anderson, W.Minor, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.00 / 2.16
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.099, 138.486, 78.338, 90.00, 111.48, 90.00
R / Rfree (%)	20.2 / 23.5

The binding sites of Magnesium atom in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne (pdb code 4wrr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne, PDB code: 4wrr:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.5 occ:1.00 O A:HOH512 2.2 35.6 1.0 O A:HOH513 2.2 26.4 1.0 O A:THR221 2.2 30.6 1.0 O A:LYS216 2.2 22.9 1.0 OD1 A:ASP219 2.4 30.4 1.0 O A:HOH567 2.4 27.2 1.0 CG A:ASP219 3.4 28.5 1.0 C A:LYS216 3.5 24.4 1.0 C A:THR221 3.5 30.2 1.0 OD2 A:ASP219 3.7 26.3 1.0 N A:LYS216 4.0 22.9 1.0 OD1 A:ASN201 4.1 33.9 1.0 OD1 A:ASP223 4.2 29.6 1.0 N A:THR221 4.2 30.8 1.0 CA A:LYS216 4.3 24.3 1.0 N A:LEU222 4.4 29.6 1.0 CA A:LEU222 4.4 28.9 1.0 N A:ASP219 4.4 27.0 1.0 CA A:THR221 4.4 31.8 1.0 N A:CYS217 4.4 23.1 1.0 OG1 A:THR221 4.5 40.4 1.0 CA A:CYS217 4.5 23.3 1.0 CB A:ASP219 4.6 27.1 1.0 OD2 A:ASP127 4.6 26.3 1.0 C A:CYS217 4.7 22.9 1.0 CB A:LYS216 4.7 27.9 1.0 CG1 A:VAL215 4.7 23.8 1.0 N A:ASP218 4.8 23.7 1.0 N A:GLY220 4.8 29.2 1.0 O A:ASN201 4.8 26.2 1.0 O A:GLY200 4.8 26.1 1.0 CA A:ASP219 4.9 27.6 1.0 CA A:ASN201 5.0 26.1 1.0 C A:ASP219 5.0 29.0 1.0

Magnesium binding site 2 out of 4 in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:21.8 occ:1.00 O B:THR221 2.2 33.7 1.0 O B:HOH509 2.2 19.6 1.0 O B:LYS216 2.3 23.4 1.0 O B:HOH511 2.4 26.3 1.0 OD1 B:ASP219 2.4 25.7 1.0 O B:HOH510 2.5 26.0 1.0 CG B:ASP219 3.4 27.4 1.0 C B:THR221 3.5 30.5 1.0 C B:LYS216 3.5 24.7 1.0 OD2 B:ASP219 3.8 30.0 1.0 OD1 B:ASN201 4.0 31.1 1.0 OD1 B:ASP223 4.1 28.1 1.0 N B:LYS216 4.1 23.3 1.0 N B:THR221 4.2 31.9 1.0 CA B:LEU222 4.3 29.4 1.0 N B:LEU222 4.3 29.1 1.0 CA B:LYS216 4.4 24.4 1.0 CA B:THR221 4.4 32.2 1.0 N B:ASP219 4.5 26.6 1.0 N B:CYS217 4.5 23.7 1.0 CA B:CYS217 4.6 23.0 1.0 OG1 B:THR221 4.6 33.2 1.0 OD2 B:ASP127 4.6 28.1 1.0 CG1 B:VAL215 4.7 24.8 1.0 CB B:ASP219 4.7 26.5 1.0 C B:CYS217 4.7 23.6 1.0 O B:GLY200 4.8 25.9 1.0 CB B:LYS216 4.8 27.1 1.0 O B:ASN201 4.8 31.1 1.0 N B:GLY220 4.8 30.1 1.0 N B:ASP218 4.9 24.7 1.0 C B:LEU222 4.9 30.5 1.0 CA B:ASN201 4.9 26.8 1.0 CA B:ASP219 4.9 29.4 1.0

Magnesium binding site 3 out of 4 in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:32.7 occ:1.00 O C:HOH541 2.1 40.8 1.0 O C:THR221 2.2 45.3 1.0 OD1 C:ASP219 2.3 44.5 1.0 O C:HOH542 2.3 54.0 1.0 O C:LYS216 2.3 37.1 1.0 O C:HOH548 2.5 37.4 1.0 CG C:ASP219 3.3 44.8 1.0 C C:THR221 3.4 42.9 1.0 C C:LYS216 3.5 39.5 1.0 OD2 C:ASP219 3.6 50.2 1.0 OD1 C:ASP223 4.0 47.0 1.0 N C:LYS216 4.1 45.0 1.0 N C:THR221 4.1 44.5 1.0 OD1 C:ASN201 4.3 47.3 1.0 N C:LEU222 4.3 43.6 1.0 CA C:THR221 4.4 46.1 1.0 CA C:LYS216 4.4 42.5 1.0 CA C:LEU222 4.4 42.2 1.0 N C:ASP219 4.4 45.1 1.0 OG1 C:THR221 4.4 51.1 1.0 N C:CYS217 4.5 39.2 1.0 CB C:ASP219 4.5 46.7 1.0 CA C:CYS217 4.6 38.7 1.0 OD2 C:ASP127 4.6 45.3 1.0 CB C:LYS216 4.7 45.9 1.0 C C:CYS217 4.7 41.8 1.0 N C:GLY220 4.8 44.8 1.0 N C:ASP218 4.8 42.9 1.0 CA C:ASP219 4.8 47.3 1.0 O C:GLY200 4.9 38.4 1.0 C C:ASP219 4.9 46.4 1.0 C C:LEU222 4.9 43.6 1.0 O C:ASN201 5.0 42.0 1.0

Magnesium binding site 4 out of 4 in the A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of A Putative Diacylglycerol Kinase From Bacillus Anthracis Str. Sterne within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg401 b:34.6 occ:1.00 O D:LYS216 2.2 40.4 1.0 O D:HOH542 2.2 42.3 1.0 O D:HOH540 2.3 40.3 1.0 O D:THR221 2.3 36.5 1.0 OD1 D:ASP219 2.4 41.6 1.0 O D:HOH541 2.5 43.1 1.0 CG D:ASP219 3.4 44.9 1.0 C D:LYS216 3.4 40.2 1.0 C D:THR221 3.5 41.9 1.0 OD2 D:ASP219 3.8 49.6 1.0 N D:LYS216 4.1 44.1 1.0 OD1 D:ASN201 4.1 42.2 1.0 OD1 D:ASP223 4.2 45.7 1.0 N D:THR221 4.2 47.0 1.0 CA D:LYS216 4.3 42.8 1.0 N D:CYS217 4.4 37.9 1.0 N D:ASP219 4.4 42.4 1.0 N D:LEU222 4.4 42.1 1.0 CA D:LEU222 4.4 40.5 1.0 CA D:CYS217 4.4 34.9 1.0 CA D:THR221 4.5 46.4 1.0 OD2 D:ASP127 4.6 38.9 1.0 OG1 D:THR221 4.6 53.1 1.0 C D:CYS217 4.6 35.3 1.0 CB D:ASP219 4.6 44.9 1.0 N D:ASP218 4.7 36.5 1.0 CG1 D:VAL215 4.7 46.0 1.0 CB D:LYS216 4.7 45.9 1.0 O D:ASN201 4.8 35.7 1.0 N D:GLY220 4.8 42.7 1.0 CA D:ASP219 4.9 44.0 1.0 O D:GLY200 4.9 41.0 1.0 CA D:ASN201 4.9 36.4 1.0 C D:ASP219 5.0 43.5 1.0

J.Hou, J.Hou, H.Zheng, D.R.Cooper, M.D.Zimmerman, W.F.Anderson, W.Minor, Centerfor Structural Genomics Of Infectious Diseases (Csgid). N/A N/A.