Chlorine in PDB 5qcf: 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: 5qcf 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)	30.99 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	78.891, 73.635, 44.716, 90.00, 104.50, 90.00
R / Rfree (%)	15.8 / 18.7

The binding sites of Chlorine atom in the Crystal Structure of Human Cathepsin-S with Bound Ligand (pdb code 5qcf). 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: 5qcf:
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:38.6 occ:1.00 CL9 A:BJD901 0.0 38.6 1.0 C70 A:BJD901 1.7 25.6 1.0 C71 A:BJD901 2.7 24.4 1.0 C69 A:BJD901 2.7 23.5 1.0 C81 A:BJD901 3.1 20.6 1.0 C85 A:BJD901 3.7 18.4 1.0 O A:HOH1208 3.8 31.8 1.0 N83 A:BJD901 3.9 18.8 1.0 C72 A:BJD901 4.0 23.6 1.0 C68 A:BJD901 4.0 22.4 1.0 C66 A:BJD901 4.5 22.8 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:23.2 occ:1.00 CL6 A:BJD901 0.0 23.2 1.0 C51 A:BJD901 1.7 20.7 1.0 C52 A:BJD901 2.7 21.2 1.0 C50 A:BJD901 2.7 20.4 1.0 C62 A:BJD901 3.1 20.2 1.0 N A:GLY165 3.3 11.4 1.0 CA A:GLY165 3.5 11.7 1.0 C A:HIS164 3.6 11.8 1.0 C64 A:BJD901 3.8 21.4 1.0 O A:HOH1135 4.0 21.2 1.0 C49 A:BJD901 4.0 19.9 1.0 C53 A:BJD901 4.0 20.2 1.0 O A:HIS164 4.0 11.2 1.0 SD A:MET71 4.1 14.2 1.0 N A:HIS164 4.1 12.0 1.0 CA A:HIS164 4.2 11.5 1.0 O A:GLY69 4.3 15.7 1.0 CE A:MET71 4.4 14.3 1.0 CA A:GLY137 4.4 11.6 1.0 C47 A:BJD901 4.5 20.9 1.0 OG A:SER25 4.6 14.1 1.0 O A:HOH1053 4.7 17.9 1.0 C A:ASN163 4.8 13.3 1.0 CB A:TRP26 5.0 13.1 1.0 C66 A:BJD901 5.0 22.8 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.