Calcium in PDB 7nlm: Lasb, N-Aryl-2-Butylmercaptoacetamide

The structure of Lasb, N-Aryl-2-Butylmercaptoacetamide, PDB code: 7nlm was solved by J.Koehnke, A.Sikandar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.97 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.703, 89.931, 41.245, 90, 114.34, 90
R / Rfree (%)	17.8 / 20.3

The structure of Lasb, N-Aryl-2-Butylmercaptoacetamide also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Lasb, N-Aryl-2-Butylmercaptoacetamide (pdb code 7nlm). 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 Lasb, N-Aryl-2-Butylmercaptoacetamide, PDB code: 7nlm:

Calcium binding site 1 out of 1 in the Lasb, N-Aryl-2-Butylmercaptoacetamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lasb, N-Aryl-2-Butylmercaptoacetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:22.7 occ:1.00 O A:LEU185 2.2 13.7 1.0 OE2 A:GLU172 2.4 17.1 1.0 OE1 A:GLU175 2.4 18.0 1.0 O A:HOH430 2.4 20.7 1.0 OD1 A:ASP183 2.4 13.1 1.0 OD1 A:ASP136 2.5 17.1 1.0 OE2 A:GLU175 2.7 19.2 1.0 CD A:GLU175 2.9 18.3 1.0 CD A:GLU172 3.2 14.1 1.0 OE1 A:GLU172 3.4 15.2 1.0 C A:LEU185 3.4 13.3 1.0 CG A:ASP183 3.5 15.0 1.0 CG A:ASP136 3.7 16.4 1.0 OD2 A:ASP183 3.8 15.6 1.0 N A:LEU185 3.9 13.1 1.0 O A:HOH467 4.1 26.9 1.0 CB A:ASP136 4.2 15.3 1.0 CA A:LEU185 4.2 13.5 1.0 N A:ILE186 4.4 13.0 1.0 CG A:GLU175 4.4 19.9 1.0 CA A:ILE186 4.5 13.5 1.0 N A:PHE184 4.6 12.2 1.0 O A:HOH522 4.6 18.1 1.0 N A:ASP183 4.6 12.7 1.0 CG A:GLU172 4.6 9.8 1.0 CB A:LEU185 4.7 12.9 1.0 OD2 A:ASP136 4.7 21.7 1.0 CB A:ASP183 4.8 13.5 1.0 O A:HOH581 4.9 34.7 1.0 N A:GLY187 4.9 14.8 1.0 C A:PHE184 4.9 13.1 1.0

J.Koehnke, A.Sikandar. Lasb, N-Aryl-2-Butylmercaptoacetamide Inhibitor Complex To Be Published.