Calcium in PDB 4w78: Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis

The structure of Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis, PDB code: 4w78 was solved by K.E.Guja, M.Yang, N.Sampson, M.Garcia-Diaz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.60 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.785, 134.096, 90.420, 90.00, 91.58, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Cadmium	(Cd)	13 atoms
Chlorine	(Cl)	4 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis (pdb code 4w78). 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 the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis, PDB code: 4w78:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis


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 the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca205 b:35.9 occ:1.00 O E:HOH468 2.4 45.8 1.0 O E:HOH371 2.6 26.8 1.0 OD2 E:ASP95 2.6 38.1 1.0 OD1 E:ASP95 3.1 36.0 1.0 CG E:ASP95 3.2 36.7 1.0 NZ E:LYS166 3.9 32.2 1.0 CG2 E:ILE91 4.3 30.8 1.0 O E:ILE100 4.4 29.9 1.0 NE2 F:GLN31 4.5 30.0 1.0 CB E:ASP95 4.6 36.4 1.0 O F:HOH372 4.6 30.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis


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 the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca202 b:55.0 occ:1.00 OD2 G:ASP85 2.0 45.6 1.0 O G:HOH359 2.5 28.8 1.0 OD1 G:ASP85 2.5 40.3 1.0 CG G:ASP85 2.6 39.6 1.0 CB G:LEU87 3.7 35.1 1.0 O G:HOH407 3.8 43.0 1.0 CD2 G:LEU87 3.9 39.7 1.0 CB G:ASP85 4.1 34.4 1.0 O G:HOH410 4.3 43.5 1.0 CG G:LEU87 4.3 40.0 1.0 O G:HOH423 4.6 50.5 1.0 CB G:ARG81 4.7 41.7 1.0 N G:LEU87 4.7 26.9 1.0 CA G:LEU87 4.8 32.0 1.0 NE2 G:GLN146 4.9 28.9 1.0

M.Yang, K.E.Guja, S.T.Thomas, M.Garcia-Diaz, N.S.Sampson. A Distinct Maoc-Like Enoyl-Coa Hydratase Architecture Mediates Cholesterol Catabolism in Mycobacterium Tuberculosis. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25203216
DOI: 10.1021/CB500232H