Chlorine in PDB 3cgy: Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol

All present enzymatic activity of Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol:
2.7.13.3;

The structure of Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol, PDB code: 3cgy was solved by M.T.Guarnieri, L.Zhang, J.Shen, R.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.923, 63.759, 87.772, 90.00, 121.41, 90.00
R / Rfree (%)	24.6 / 29.9

The binding sites of Chlorine atom in the Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol (pdb code 3cgy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol, PDB code: 3cgy:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl700 b:61.8 occ:1.00 CL1 A:RDC700 0.0 61.8 1.0 C6 A:RDC700 1.8 65.2 1.0 C5 A:RDC700 2.8 64.2 1.0 C7 A:RDC700 2.8 66.3 1.0 O4 A:RDC700 3.0 66.4 1.0 C8 A:RDC700 3.1 67.3 1.0 O5 A:RDC700 3.2 69.0 1.0 O A:PRO419 3.3 89.5 1.0 C9 A:RDC700 3.4 67.7 1.0 O A:GLY420 3.5 94.3 1.0 C A:GLY420 3.8 94.6 1.0 CD2 A:TYR394 3.9 48.8 1.0 CG A:TYR394 3.9 49.0 1.0 CB A:TYR394 3.9 51.4 1.0 C4 A:RDC700 4.1 64.1 1.0 CG2 A:ILE421 4.1 0.6 1.0 CA A:GLY420 4.2 93.5 1.0 C2 A:RDC700 4.2 65.2 1.0 C A:PRO419 4.2 91.7 1.0 N A:ILE421 4.5 97.3 1.0 CE2 A:TYR394 4.6 48.8 1.0 N A:GLY420 4.6 90.7 1.0 CD1 A:TYR394 4.6 46.5 1.0 C3 A:RDC700 4.6 64.3 1.0 C10 A:RDC700 4.6 68.2 1.0 CB A:ALA471 4.9 47.5 1.0 CA A:ILE421 5.0 99.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl700 b:61.2 occ:1.00 CL1 B:RDC700 0.0 61.2 1.0 C6 B:RDC700 1.8 63.5 1.0 C5 B:RDC700 2.8 65.2 1.0 C7 B:RDC700 2.8 65.2 1.0 O4 B:RDC700 3.0 64.7 1.0 C8 B:RDC700 3.1 66.5 1.0 CG B:PRO419 3.2 84.9 1.0 O5 B:RDC700 3.3 66.8 1.0 C9 B:RDC700 3.4 67.5 1.0 N B:GLY420 3.7 84.5 1.0 CD B:PRO419 3.8 83.2 1.0 CD2 B:TYR394 4.0 59.6 1.0 C4 B:RDC700 4.1 64.2 1.0 O B:GLY420 4.1 82.7 1.0 CG B:TYR394 4.1 57.3 1.0 C2 B:RDC700 4.1 65.7 1.0 CB B:TYR394 4.2 56.0 1.0 C B:GLY420 4.2 85.8 1.0 CA B:GLY420 4.3 85.5 1.0 CB B:PRO419 4.5 84.6 1.0 N B:PRO419 4.6 81.2 1.0 C3 B:RDC700 4.6 64.7 1.0 C10 B:RDC700 4.7 65.2 1.0 CE2 B:TYR394 4.7 61.2 1.0 C B:PRO419 4.8 86.8 1.0 CD1 B:TYR394 4.9 57.3 1.0 CA B:PRO419 4.9 84.9 1.0 N B:ILE421 4.9 85.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Salmonella Sensor Kinase Phoq Catalytic Domain in Complex with Radicicol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl700 b:64.7 occ:1.00 CL1 C:RDC700 0.0 64.7 1.0 C6 C:RDC700 1.8 62.3 1.0 C5 C:RDC700 2.7 64.4 1.0 C7 C:RDC700 2.8 64.3 1.0 O4 C:RDC700 3.0 67.0 1.0 C8 C:RDC700 3.1 64.7 1.0 O5 C:RDC700 3.2 69.1 1.0 C9 C:RDC700 3.5 67.2 1.0 N C:GLY420 3.5 92.5 1.0 CA C:GLY420 3.5 97.2 1.0 C C:GLY420 3.6 98.9 1.0 N C:ILE421 3.9 98.1 1.0 O C:GLY420 4.0 0.7 1.0 C4 C:RDC700 4.1 61.5 1.0 CD2 C:TYR394 4.1 63.3 1.0 C2 C:RDC700 4.1 64.2 1.0 C3 C:RDC700 4.6 63.1 1.0 CB C:TYR394 4.6 58.7 1.0 CA C:ILE421 4.7 96.1 1.0 CG C:TYR394 4.7 61.7 1.0 C10 C:RDC700 4.7 66.2 1.0 C C:PRO419 4.7 91.9 1.0 CB C:PRO419 4.8 83.1 1.0 CD1 C:ILE421 4.9 92.7 1.0 CE2 C:TYR394 4.9 65.2 1.0

M.T.Guarnieri, L.Zhang, J.Shen, R.Zhao. The HSP90 Inhibitor Radicicol Interacts with the Atp-Binding Pocket of Bacterial Sensor Kinase Phoq. J.Mol.Biol. V. 379 82 2008.
ISSN: ISSN 0022-2836
PubMed: 18440021
DOI: 10.1016/J.JMB.2008.03.036