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Chlorine in PDB 2pzi: Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017

Enzymatic activity of Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017

All present enzymatic activity of Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017, PDB code: 2pzi was solved by S.Honnappa, M.O.Steinmetz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 106.00 / 2.40
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 122.553, 122.553, 243.749, 90.00, 90.00, 120.00
R / Rfree (%) 18.3 / 23.3

Other elements in 2pzi:

The structure of Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017 also contains other interesting chemical elements:

Cadmium (Cd) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017 (pdb code 2pzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017, PDB code: 2pzi:

Chlorine binding site 1 out of 1 in 2pzi

Go back to Chlorine Binding Sites List in 2pzi
Chlorine binding site 1 out of 1 in the Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017


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 Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl751

b:66.0
occ:1.00
O A:HOH880 2.6 84.1 1.0
N A:ALA148 3.0 40.0 1.0
ND1 A:HIS219 3.3 49.7 1.0
CA A:ALA148 3.6 41.8 1.0
O A:GLU218 3.6 50.5 1.0
CA A:HIS219 4.0 44.4 1.0
C A:VAL147 4.1 43.2 1.0
CE1 A:HIS219 4.2 56.6 1.0
CA A:VAL147 4.3 42.4 1.0
CG A:HIS219 4.3 46.5 1.0
N A:THR220 4.4 46.3 1.0
O A:ILE146 4.4 43.2 1.0
CB A:HIS219 4.4 44.4 1.0
C A:GLU218 4.6 48.7 1.0
CB A:ALA148 4.6 41.2 1.0
N A:GLY149 4.6 47.9 1.0
C A:ALA148 4.7 44.2 1.0
CG1 A:VAL147 4.7 35.0 1.0
C A:HIS219 4.7 46.5 1.0
N A:HIS219 4.8 47.2 1.0

Reference:

N.Scherr, S.Honnappa, G.Kunz, P.Mueller, R.Jayachandran, F.Winkler, J.Pieters, M.O.Steinmetz. Structural Basis For the Specific Inhibition of Protein Kinase G, A Virulence Factor of Mycobacterium Tuberculosis. Proc.Natl.Acad.Sci.Usa V. 104 12151 2007.
ISSN: ISSN 0027-8424
PubMed: 17616581
DOI: 10.1073/PNAS.0702842104
Page generated: Thu Jul 10 23:58:42 2025

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