Magnesium in PDB 3d36: How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda

All present enzymatic activity of How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda:
2.7.13.3;

The structure of How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda, PDB code: 3d36 was solved by M.J.Bick, V.Lamour, K.R.Rajashankar, Y.Gordiyenko, C.V.Robinson, S.A.Darst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.41 / 2.03
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.111, 66.111, 315.572, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 21.5

The binding sites of Magnesium atom in the How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda (pdb code 3d36). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda, PDB code: 3d36:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg478 b:41.7 occ:1.00 O2B A:ADP500 2.0 36.3 1.0 O A:HOH545 2.1 38.3 1.0 O1A A:ADP500 2.1 36.6 1.0 OD1 A:ASN324 2.2 36.7 1.0 O A:HOH519 2.2 42.5 1.0 O A:HOH567 2.3 35.2 1.0 PB A:ADP500 3.1 35.5 1.0 CG A:ASN324 3.2 35.5 1.0 PA A:ADP500 3.3 36.2 1.0 O3A A:ADP500 3.4 35.7 1.0 ND2 A:ASN324 3.5 35.3 1.0 O3B A:ADP500 3.6 35.7 1.0 NZ A:LYS373 3.9 36.8 1.0 O5' A:ADP500 4.2 35.9 1.0 O A:HOH527 4.2 32.3 1.0 OE2 A:GLU327 4.2 35.2 1.0 O A:HOH550 4.2 38.4 1.0 OD1 A:ASP259 4.2 37.2 1.0 O1B A:ADP500 4.4 35.7 1.0 O A:HOH535 4.5 37.9 1.0 CA A:GLY381 4.5 36.8 1.0 CB A:ASN324 4.5 35.3 1.0 O2A A:ADP500 4.5 36.3 1.0 O A:ASN320 4.5 35.6 1.0 CA A:ASN324 4.8 35.4 1.0 N A:GLY381 4.9 36.3 1.0 N A:ASN324 4.9 35.3 1.0 O A:HOH518 5.0 37.4 1.0

Magnesium binding site 2 out of 2 in the How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg477 b:40.3 occ:1.00 O1A B:ADP500 2.0 37.0 1.0 OD1 B:ASN324 2.1 36.0 1.0 O2B B:ADP500 2.1 35.8 1.0 O B:HOH792 2.1 19.5 1.0 O B:HOH761 2.1 23.5 1.0 O B:HOH822 2.2 21.2 1.0 CG B:ASN324 3.0 36.5 1.0 PB B:ADP500 3.1 36.9 1.0 PA B:ADP500 3.2 37.9 1.0 O3A B:ADP500 3.3 36.3 1.0 ND2 B:ASN324 3.4 33.5 1.0 O3B B:ADP500 3.6 35.8 1.0 NZ B:LYS373 3.9 40.3 1.0 O B:HOH707 4.1 20.3 1.0 O5' B:ADP500 4.1 37.3 1.0 OE1 B:GLU327 4.3 38.8 1.0 OD1 B:ASP259 4.3 36.2 1.0 O B:HOH738 4.3 26.8 1.0 CA B:GLY381 4.3 37.6 1.0 O B:ASN320 4.3 37.9 1.0 O2A B:ADP500 4.4 37.6 1.0 O B:HOH787 4.4 34.9 1.0 CB B:ASN324 4.4 36.3 1.0 O1B B:ADP500 4.5 35.7 1.0 N B:GLY381 4.7 37.1 1.0 CA B:ASN324 4.8 36.6 1.0 N B:ASN324 4.9 36.8 1.0

M.J.Bick, V.Lamour, K.R.Rajashankar, Y.Gordiyenko, C.V.Robinson, S.A.Darst. How to Switch Off A Histidine Kinase: Crystal Structure of Geobacillus Stearothermophilus Kinb with the Inhibitor Sda J.Mol.Biol. V. 386 163 2009.
ISSN: ISSN 0022-2836
PubMed: 19101565
DOI: 10.1016/J.JMB.2008.12.006