Chlorine in PDB 3lil: Human MMP12 in Complex with Non-Zinc Chelating Inhibitor

All present enzymatic activity of Human MMP12 in Complex with Non-Zinc Chelating Inhibitor:
3.4.24.65;

The structure of Human MMP12 in Complex with Non-Zinc Chelating Inhibitor, PDB code: 3lil was solved by E.A.Stura, V.Dive, L.Devel, B.Czarny, L.Vera, F.Beau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.32 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.782, 62.667, 37.648, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 19

The structure of Human MMP12 in Complex with Non-Zinc Chelating Inhibitor also contains other interesting chemical elements:

Calcium	(Ca)	3 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Human MMP12 in Complex with Non-Zinc Chelating Inhibitor (pdb code 3lil). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human MMP12 in Complex with Non-Zinc Chelating Inhibitor, PDB code: 3lil:

Chlorine binding site 1 out of 1 in the Human MMP12 in Complex with Non-Zinc Chelating Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human MMP12 in Complex with Non-Zinc Chelating Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:37.8 occ:1.00 CL1 A:EEA301 0.0 37.8 1.0 C20 A:EEA301 1.8 36.5 1.0 C19 A:EEA301 2.7 25.2 1.0 C21 A:EEA301 2.8 25.8 1.0 CG A:LYS241 3.2 37.0 1.0 CB A:VAL243 3.3 28.0 1.0 O A:HOH343 3.4 41.3 1.0 CG1 A:VAL243 3.5 23.4 1.0 CD A:LYS241 3.5 40.4 1.0 O A:TYR242 3.6 23.9 1.0 C A:TYR242 4.0 22.8 1.0 O A:LYS241 4.1 15.8 1.0 C18 A:EEA301 4.1 21.1 1.0 C22 A:EEA301 4.1 24.3 1.0 CE A:LYS241 4.2 45.1 1.0 N A:VAL243 4.2 19.7 1.0 CA A:VAL243 4.3 23.6 1.0 O A:HOH342 4.3 38.9 1.0 CG2 A:VAL243 4.3 32.6 1.0 C A:LYS241 4.4 21.3 1.0 CB A:LYS241 4.6 22.9 1.0 C23 A:EEA301 4.7 23.8 1.0 N A:TYR242 4.8 19.9 1.0 NZ A:LYS241 4.8 55.9 1.0 O A:HOH341 4.9 37.5 1.0 CA A:TYR242 4.9 16.3 1.0

L.Devel, S.Garcia, B.Czarny, F.Beau, E.Lajeunesse, L.Vera, D.Georgiadis, E.Stura, V.Dive. Insights From Selective Non-Phosphinic Inhibitors of Mmp-12 Tailored to Fit with An S1' Loop Canonical Conformation. J.Biol.Chem. V. 285 35900 2010.
ISSN: ISSN 0021-9258
PubMed: 20817735
DOI: 10.1074/JBC.M110.139634