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Cadmium 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

Cadmium Binding Sites:

The binding sites of Cadmium 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 Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Protein Kinase Pkng From Mycobacterium Tuberculosis in Complex with Tetrahydrobenzothiophene AX20017, PDB code: 2pzi:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in 2pzi

Go back to Cadmium Binding Sites List in 2pzi
Cadmium binding site 1 out of 2 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 Cadmium with other atoms in the Cd 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:Cd752

b:53.0
occ:1.00
SG A:CYS131 2.3 28.6 1.0
SG A:CYS108 2.5 40.5 1.0
SG A:CYS128 2.5 34.4 1.0
SG A:CYS105 2.6 31.0 1.0
CB A:CYS105 3.2 32.6 1.0
CB A:CYS128 3.2 32.0 1.0
CB A:CYS108 3.3 31.4 1.0
CB A:CYS131 3.4 30.0 1.0
N A:CYS131 3.8 36.7 1.0
N A:CYS108 3.9 38.3 1.0
CA A:CYS108 4.1 36.3 1.0
CA A:CYS131 4.2 34.0 1.0
CB A:TYR130 4.4 47.2 1.0
CA A:CYS105 4.7 36.7 1.0
CA A:CYS128 4.7 35.8 1.0
C A:TYR130 4.7 39.6 1.0
C A:CYS108 4.8 37.7 1.0
CB A:ASN107 4.8 38.3 1.0
N A:GLY109 4.9 38.0 1.0
CB A:SER133 4.9 32.5 1.0
C A:ASN107 4.9 38.2 1.0
CA A:TYR130 4.9 43.5 1.0
C A:CYS131 5.0 36.8 1.0
N A:GLY132 5.0 35.7 1.0
CD2 A:TYR130 5.0 59.9 1.0

Cadmium binding site 2 out of 2 in 2pzi

Go back to Cadmium Binding Sites List in 2pzi
Cadmium binding site 2 out of 2 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 Cadmium with other atoms in the Cd binding site number 2 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
B:Cd751

b:70.5
occ:1.00
SG B:CYS131 2.4 51.0 1.0
SG B:CYS128 2.5 55.2 1.0
SG B:CYS105 2.6 60.3 1.0
SG B:CYS108 2.6 58.4 1.0
CB B:CYS128 3.1 50.2 1.0
CB B:CYS105 3.1 51.2 1.0
CB B:CYS131 3.4 54.6 1.0
CB B:CYS108 3.4 54.7 1.0
N B:CYS131 3.8 55.2 1.0
N B:CYS108 4.0 55.5 1.0
CA B:CYS131 4.2 54.0 1.0
CA B:CYS108 4.3 57.9 1.0
CB B:TYR130 4.6 61.9 1.0
CA B:CYS128 4.6 51.7 1.0
CA B:CYS105 4.6 55.8 1.0
C B:TYR130 4.7 55.9 1.0
CB B:SER133 4.9 52.6 1.0
N B:GLY109 4.9 59.0 1.0
C B:CYS108 4.9 58.0 1.0
CB B:ASN107 4.9 53.0 1.0
OD1 B:ASN107 5.0 62.7 1.0
CB B:ARG110 5.0 65.2 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: Fri Aug 28 13:04:18 2020
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