Cadmium in PDB 1rwl: Extracellular Domain of Mycobacterium Tuberculosis Pknd

All present enzymatic activity of Extracellular Domain of Mycobacterium Tuberculosis Pknd:
2.7.1.37;

The structure of Extracellular Domain of Mycobacterium Tuberculosis Pknd, PDB code: 1rwl was solved by M.C.Good, A.E.Greenstein, T.A.Young, H.L.Ng, T.Alber, Tbstructural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.940, 94.580, 71.770, 90.00, 98.10, 90.00
R / Rfree (%)	21.4 / 26.2

The binding sites of Cadmium atom in the Extracellular Domain of Mycobacterium Tuberculosis Pknd (pdb code 1rwl). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Extracellular Domain of Mycobacterium Tuberculosis Pknd, PDB code: 1rwl:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the Extracellular Domain of Mycobacterium Tuberculosis Pknd


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Extracellular Domain of Mycobacterium Tuberculosis Pknd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd501 b:31.5 occ:1.00 OE2 A:GLU42 2.3 32.8 1.0 OE1 A:GLU42 2.5 35.2 1.0 CD A:GLU42 2.7 30.2 1.0 OE1 A:GLN70 4.2 35.0 1.0 CG A:GLU42 4.2 32.6 1.0 NE2 A:GLN70 4.3 27.3 1.0 CD A:GLN70 4.7 29.1 1.0 CD1 A:LEU237 4.7 32.2 1.0 NH1 A:ARG252 4.7 44.7 1.0 O A:HOH518 4.9 56.8 1.0

Cadmium binding site 2 out of 4 in the Extracellular Domain of Mycobacterium Tuberculosis Pknd


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Extracellular Domain of Mycobacterium Tuberculosis Pknd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd502 b:39.2 occ:1.00 OD2 A:ASP151 2.2 39.4 1.0 OD2 A:ASP169 2.4 40.0 1.0 OD1 A:ASP169 2.5 34.1 1.0 O A:HOH540 2.7 40.1 1.0 CG A:ASP169 2.8 37.4 1.0 CG A:ASP151 3.3 36.4 1.0 CB A:ASP151 3.7 32.4 1.0 CB A:ASP169 4.3 33.2 1.0 OD1 A:ASP151 4.4 37.5 1.0 O A:HOH524 4.4 36.0 1.0

Cadmium binding site 3 out of 4 in the Extracellular Domain of Mycobacterium Tuberculosis Pknd


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Extracellular Domain of Mycobacterium Tuberculosis Pknd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd503 b:49.2 occ:0.30 CE1 A:TYR109 3.7 44.8 1.0 OH A:TYR109 3.7 49.2 1.0 CZ A:TYR109 4.1 46.1 1.0 CD1 A:TYR109 4.8 39.3 1.0

Cadmium binding site 4 out of 4 in the Extracellular Domain of Mycobacterium Tuberculosis Pknd


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Extracellular Domain of Mycobacterium Tuberculosis Pknd within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd504 b:31.2 occ:0.30 OD2 A:ASP105 2.2 47.8 1.0 OD1 A:ASP105 2.5 45.1 1.0 CG A:ASP105 2.7 43.2 1.0 O A:HOH528 2.9 55.0 1.0 O A:PRO103 3.9 38.0 1.0 O A:LYS139 3.9 44.3 1.0 CB A:ASP105 4.2 40.9 1.0 C A:PRO103 4.7 37.1 1.0 CB A:PRO103 4.7 36.7 1.0 O A:PHE104 4.9 40.1 1.0 N A:ASP105 4.9 39.8 1.0 CA A:ASP105 4.9 39.8 1.0 C A:PHE104 4.9 38.7 1.0

M.C.Good, A.E.Greenstein, T.A.Young, H.L.Ng, T.Alber. Sensor Domain of the Mycobacterium Tuberculosis Receptor Ser/Thr Protein Kinase, Pknd, Forms A Highly Symmetric Beta Propeller. J.Mol.Biol. V. 339 459 2004.
ISSN: ISSN 0022-2836
PubMed: 15136047
DOI: 10.1016/J.JMB.2004.03.063