Calcium in PDB 3ats: Crystal Structure of RV3168

The structure of Crystal Structure of RV3168, PDB code: 3ats was solved by Y.-G.Kim, S.Kim, C.M.T.Nguyen, K.-J.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.61 / 1.67
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.738, 62.366, 103.614, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.3

The structure of Crystal Structure of RV3168 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of RV3168 (pdb code 3ats). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of RV3168, PDB code: 3ats:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of RV3168


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of RV3168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca379 b:16.2 occ:1.00 O A:GLY375 2.3 15.6 1.0 OE2 A:GLU377 2.5 25.4 1.0 OE1 A:GLU377 2.5 17.8 1.0 CD A:GLU377 2.8 17.3 1.0 C A:GLY375 3.5 17.0 1.0 CA A:GLU376 4.3 16.0 1.0 CG A:GLU377 4.3 15.4 1.0 N A:GLU376 4.3 15.6 1.0 C A:GLU376 4.5 16.3 1.0 O A:HOH492 4.5 25.0 1.0 CA A:GLY375 4.5 14.9 1.0 N A:GLU377 4.7 15.8 1.0 O A:GLU376 5.0 16.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of RV3168


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of RV3168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca380 b:36.0 occ:1.00 O A:GLY106 2.4 24.7 1.0 O A:HOH416 2.5 22.8 1.0 O A:THR109 2.5 22.8 1.0 O A:HOH665 2.6 46.7 1.0 C A:GLY106 3.5 24.7 1.0 C A:THR109 3.6 23.0 1.0 CA A:ASP110 4.1 24.7 1.0 CA A:GLY106 4.1 23.9 1.0 N A:ASP110 4.3 23.4 1.0 O A:HOH408 4.4 23.6 1.0 O A:VAL105 4.6 19.3 1.0 N A:GLU107 4.6 26.9 1.0 N A:THR109 4.6 24.6 1.0 O A:GLU107 4.7 27.9 1.0 CA A:THR109 4.8 23.4 1.0 O A:HOH569 4.8 38.2 1.0 C A:GLU107 4.8 28.9 1.0 C A:ASP110 4.9 23.1 1.0 CA A:GLU107 4.9 28.0 1.0

S.Kim, C.M.T.Nguyen, E.-J.Kim, K.-J.Kim. Crystal Structure of Mycobacterium Tuberculosis RV3168: A Putative Aminoglycoside Antibiotics Resistance Enzyme Proteins V. 79 2983 2011.
ISSN: ISSN 0887-3585
PubMed: 21905120
DOI: 10.1002/PROT.23119