Chlorine in PDB 5qc8: 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: 5qc8 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)	45.46 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	91.062, 37.153, 127.677, 90.00, 93.14, 90.00
R / Rfree (%)	16.7 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of Human Cathepsin-S with Bound Ligand (pdb code 5qc8). 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: 5qc8:
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:11.1 occ:1.00 CL52 A:BFV901 0.0 11.1 1.0 C43 A:BFV901 1.8 12.3 1.0 C42 A:BFV901 2.7 12.3 1.0 C44 A:BFV901 2.7 12.3 1.0 C54 A:BFV901 3.0 13.1 1.0 CA A:GLY165 3.3 7.0 1.0 N A:GLY165 3.4 6.9 1.0 SD A:MET71 3.4 11.1 1.0 C A:HIS164 3.6 7.7 1.0 O A:HIS164 3.7 7.3 1.0 CA A:GLY137 3.7 7.1 1.0 C56 A:BFV901 3.7 13.9 1.0 CE A:MET71 3.9 9.9 1.0 C41 A:BFV901 4.0 12.1 1.0 C45 A:BFV901 4.0 12.2 1.0 O A:VAL136 4.2 6.1 1.0 N A:HIS164 4.2 8.8 1.0 N A:GLY137 4.3 6.7 1.0 CA A:HIS164 4.4 8.2 1.0 C39 A:BFV901 4.5 12.3 1.0 C A:VAL136 4.6 6.4 1.0 C A:GLY165 4.7 7.1 1.0 C58 A:BFV901 4.8 15.4 1.0 CB A:TRP26 4.8 8.4 1.0 CA A:TRP26 4.9 8.2 1.0 C64 A:BFV901 4.9 14.9 1.0 C A:GLY137 5.0 7.4 1.0 C A:ASN163 5.0 9.1 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 B:Cl901 b:11.3 occ:1.00 CL52 B:BFV901 0.0 11.3 1.0 C43 B:BFV901 1.7 11.0 1.0 C42 B:BFV901 2.7 11.2 1.0 C44 B:BFV901 2.7 11.2 1.0 C54 B:BFV901 3.0 12.2 1.0 CA B:GLY165 3.3 7.7 1.0 N B:GLY165 3.4 7.9 1.0 SD B:MET71 3.4 10.7 1.0 C B:HIS164 3.5 8.7 1.0 O B:HIS164 3.6 7.9 1.0 CA B:GLY137 3.7 8.9 1.0 C56 B:BFV901 3.7 12.9 1.0 C41 B:BFV901 4.0 11.2 1.0 C45 B:BFV901 4.0 11.1 1.0 CE B:MET71 4.0 9.3 1.0 N B:HIS164 4.2 10.3 1.0 O B:VAL136 4.3 8.2 1.0 N B:GLY137 4.3 8.5 1.0 CA B:HIS164 4.4 9.3 1.0 C39 B:BFV901 4.5 11.4 1.0 C B:VAL136 4.7 8.2 1.0 C B:GLY165 4.8 7.6 1.0 CG2 B:VAL162 4.8 14.0 1.0 CB B:TRP26 4.8 8.1 1.0 C58 B:BFV901 4.8 13.7 1.0 CA B:TRP26 4.9 8.0 1.0 C B:GLY137 4.9 9.1 1.0 C B:ASN163 4.9 11.3 1.0 C64 B:BFV901 5.0 14.3 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.