Calcium in PDB 4wnb: Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa

The structure of Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa, PDB code: 4wnb 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)	72.70 / 1.76
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	51.882, 51.882, 436.235, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 25.5

The structure of Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa also contains other interesting chemical elements:

Cadmium

(Cd)

2 atoms

The binding sites of Calcium atom in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa (pdb code 4wnb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa, PDB code: 4wnb:

Calcium binding site 1 out of 1 in the Crystal Structure of the CHSH1-CHSH2 Complex From Mycobacterium Tuberculosis Bound to 3-Opc-Coa


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 Bound to 3-Opc-Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:22.6 occ:1.00 OD2 A:ASP156 2.0 29.6 1.0 NE2 A:HIS112 2.2 39.0 1.0 CG A:ASP156 3.0 36.1 1.0 CE1 A:HIS112 3.1 43.4 1.0 CD2 A:HIS112 3.2 37.7 1.0 OD1 A:ASP156 3.3 30.4 1.0 OE1 A:GLU159 3.5 30.5 1.0 ND1 A:HIS112 4.2 44.1 1.0 CG A:HIS112 4.3 35.1 1.0 CB A:ASP156 4.4 31.8 1.0 CD A:GLU159 4.4 39.0 1.0 CG A:GLU159 4.5 28.7 1.0 CB A:GLU159 4.8 34.4 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