Iodine in PDB 8k4z: Crystal Structure of Human Mmp-7 in Complex with Inhibitor

All present enzymatic activity of Crystal Structure of Human Mmp-7 in Complex with Inhibitor:
3.4.24.23;

The structure of Crystal Structure of Human Mmp-7 in Complex with Inhibitor, PDB code: 8k4z was solved by M.Kamitani, M.Mima, Y.Oka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.60 / 1.70
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	75.799, 75.799, 60.53, 90, 90, 90
R / Rfree (%)	20.3 / 23.9

The structure of Crystal Structure of Human Mmp-7 in Complex with Inhibitor also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	2 atoms
Fluorine	(F)	3 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor (pdb code 8k4z). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor, PDB code: 8k4z:

Iodine binding site 1 out of 1 in the Crystal Structure of Human Mmp-7 in Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Mmp-7 in Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:I305 b:17.6 occ:1.00 O A:HOH433 3.5 10.8 1.0 N A:SER166 3.5 15.3 1.0 N A:GLY164 3.7 12.1 1.0 CA A:GLY164 3.9 12.7 1.0 N A:ASP165 3.9 14.3 1.0 CA A:SER166 3.9 16.6 1.0 C A:GLY164 4.1 14.0 1.0 CB A:ALA162 4.1 11.8 1.0 N A:HIS163 4.4 10.7 1.0 CA A:ALA162 4.6 11.3 1.0 C A:ASP165 4.7 14.9 1.0 C A:SER166 4.7 15.7 1.0 CG A:PRO168 4.8 14.5 1.0 C A:ALA162 4.8 11.6 1.0 O A:GLY164 4.9 14.5 1.0 CD A:PRO168 4.9 14.0 1.0 CA A:ASP165 4.9 13.6 1.0 C A:HIS163 4.9 11.3 1.0 N A:TYR167 4.9 15.2 1.0

Y.Oka, K.Abe-Sato, H.Tabuse, Y.Yasukawa, T.Yahara, T.Nishimoto, M.Kamitani, T.Fukunaga, N.Ochiai, T.Kumasaka-Abe, K.Hitaka, E.Gunji, H.Ohara, T.Takeda, N.Kojima, T.Asami. Discovery of TP0628103: A Selective Mmp-7 Inhibitor Based on the Mitigation of Oatp Substrate Recognition Through Isoelectric Point Shift Strategy To Be Published.