Chlorine in PDB 3i7g: Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor

The structure of Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor, PDB code: 3i7g was solved by N.A.Farrow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.37 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	133.770, 36.100, 95.333, 90.00, 130.77, 90.00
R / Rfree (%)	17.3 / 22.8

The structure of Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor also contains other interesting chemical elements:

Calcium	(Ca)	6 atoms
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor (pdb code 3i7g). 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 Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor, PDB code: 3i7g:

Chlorine binding site 1 out of 1 in the Mmp-13 in Complex with A 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 Mmp-13 in Complex with A Non Zinc-Chelating Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl999 b:40.8 occ:1.00 CL8 A:732999 0.0 40.8 1.0 C5 A:732999 1.7 28.6 1.0 C6 A:732999 2.7 28.6 1.0 C4 A:732999 2.7 30.7 1.0 O A:LEU239 3.6 14.3 1.0 C1 A:732999 4.0 29.3 1.0 O A:HOH579 4.0 38.3 1.0 C3 A:732999 4.0 31.0 1.0 CD1 A:LEU239 4.1 15.8 1.0 O A:THR245 4.2 26.8 1.0 CA A:LEU239 4.2 15.1 1.0 O A:ILE243 4.3 27.9 1.0 O A:HOH578 4.3 40.3 1.0 C A:LEU239 4.3 16.4 1.0 N A:THR245 4.3 20.7 1.0 O A:ALA238 4.4 16.6 1.0 C2 A:732999 4.5 25.4 1.0 O A:PHE241 4.8 18.6 1.0 CG2 A:THR245 4.8 26.7 1.0 CA A:TYR244 4.9 25.6 1.0 CG A:LEU239 5.0 12.4 1.0

A.Heim-Riether, S.J.Taylor, S.Liang, D.A.Gao, Z.Xiong, E.Michael August, B.K.Collins, B.T.Farmer, K.Haverty, M.Hill-Drzewi, H.D.Junker, S.Mariana Margarit, N.Moss, T.Neumann, J.R.Proudfoot, L.S.Keenan, R.Sekul, Q.Zhang, J.Li, N.A.Farrow. Improving Potency and Selectivity of A New Class of Non-Zn-Chelating Mmp-13 Inhibitors. Bioorg.Med.Chem.Lett. V. 19 5321 2009.
ISSN: ISSN 0960-894X
PubMed: 19692239
DOI: 10.1016/J.BMCL.2009.07.151