Chlorine in PDB 5qbz: Crystal Structure of Human Cathepsin-S with Bound Ligand

All present enzymatic activity of Crystal Structure of Human Cathepsin-S with Bound Ligand:
3.4.22.27;

The structure of Crystal Structure of Human Cathepsin-S with Bound Ligand, PDB code: 5qbz was solved by S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.45 / 2.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.894, 70.894, 89.046, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 25.3

The structure of Crystal Structure of Human Cathepsin-S with Bound Ligand also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human Cathepsin-S with Bound Ligand (pdb code 5qbz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human Cathepsin-S with Bound Ligand, PDB code: 5qbz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Cathepsin-S with Bound Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:54.6 occ:1.00 CL24 A:B8Y901 0.0 54.6 1.0 C1 A:B8Y901 1.7 53.7 1.0 C6 A:B8Y901 2.7 53.1 1.0 C2 A:B8Y901 2.7 52.3 1.0 C3 A:B8Y901 4.0 49.7 1.0 C5 A:B8Y901 4.0 52.4 1.0 C4 A:B8Y901 4.5 50.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Cathepsin-S with Bound Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Cathepsin-S with Bound Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:36.4 occ:1.00 CL73 A:B8Y901 0.0 36.4 1.0 C64 A:B8Y901 1.7 32.5 1.0 C63 A:B8Y901 2.7 32.5 1.0 C65 A:B8Y901 2.7 31.8 1.0 C75 A:B8Y901 3.1 31.1 1.0 N A:GLY165 3.4 26.3 1.0 C A:HIS164 3.6 26.5 1.0 CA A:GLY165 3.6 26.5 1.0 SD A:MET71 3.8 25.4 1.0 N77 A:B8Y901 4.0 30.6 1.0 C62 A:B8Y901 4.0 32.3 1.0 C66 A:B8Y901 4.0 31.4 1.0 N A:HIS164 4.0 27.2 1.0 O A:HIS164 4.0 26.3 1.0 O A:GLY69 4.1 23.7 1.0 O A:HOH1019 4.1 31.2 1.0 CA A:HIS164 4.2 26.6 1.0 CA A:GLY137 4.2 26.3 1.0 CE A:MET71 4.3 25.2 1.0 C A:ASN163 4.4 28.0 1.0 C60 A:B8Y901 4.5 32.0 1.0 O A:ASN163 4.7 28.1 1.0 CB A:TRP26 4.7 27.2 1.0 OG A:SER25 4.9 23.7 1.0 CA A:TRP26 5.0 27.3 1.0

S.D.Bembenek, M.K.Ameriks, T.Mirzadegan, H.Yang, C.Shao, S.K.Burley. Crystal Structure of Human Cathepsin-S with Bound Ligand To Be Published.