Zinc in PDB 4axl: Human Cathepsin L Apo Form with Zn

All present enzymatic activity of Human Cathepsin L Apo Form with Zn:
3.4.22.15;

The structure of Human Cathepsin L Apo Form with Zn, PDB code: 4axl was solved by D.W.Banner, J.Benz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.67 / 1.92
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	111.201, 111.201, 85.891, 90.00, 90.00, 120.00
R / Rfree (%)	18.843 / 23.03

The binding sites of Zinc atom in the Human Cathepsin L Apo Form with Zn (pdb code 4axl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Cathepsin L Apo Form with Zn, PDB code: 4axl:

Zinc binding site 1 out of 1 in the Human Cathepsin L Apo Form with Zn


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Cathepsin L Apo Form with Zn within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1221 b:45.4 occ:1.00 ND1 A:HIS163 2.1 40.8 1.0 O A:HOH2039 2.1 43.7 1.0 O A:HOH2134 2.2 43.4 1.0 SG A:CYS25 2.9 44.9 1.0 CE1 A:HIS163 2.9 39.8 1.0 CG A:HIS163 3.2 40.7 1.0 CB A:CYS25 3.6 40.0 1.0 CB A:HIS163 3.6 38.1 1.0 CA A:HIS163 3.8 39.3 1.0 NE2 A:HIS163 4.1 40.0 1.0 NE2 A:GLN19 4.1 38.5 1.0 CD2 A:HIS163 4.2 38.4 1.0 OE1 A:GLN19 4.5 38.9 1.0 O A:ASP162 4.6 52.8 1.0 NE1 A:TRP189 4.7 34.5 1.0 CD A:GLN19 4.7 40.1 1.0 N A:HIS163 4.8 46.8 1.0 O A:HOH2044 4.8 58.3 1.0 CZ2 A:TRP189 4.8 35.0 1.0 C A:HIS163 4.8 37.2 1.0 N A:GLY164 4.9 36.0 1.0 CA A:CYS25 4.9 39.5 1.0 C A:ASP162 4.9 55.4 1.0

V.Ehmke, E.Winkler, D.W.Banner, W.Haap, W.B.Schweizer, M.Rottmann, M.Kaiser, C.Freymond, T.Schirmeister, F.Diederich. Optimization of Triazine Nitriles As Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem V. 8 967 2013.
ISSN: ISSN 1860-7179
PubMed: 23658062
DOI: 10.1002/CMDC.201300112