Chlorine in PDB 4dpe: Structure of MMP3 Complexed with A Platinum-Based Inhibitor.

All present enzymatic activity of Structure of MMP3 Complexed with A Platinum-Based Inhibitor.:
3.4.24.17;

The structure of Structure of MMP3 Complexed with A Platinum-Based Inhibitor., PDB code: 4dpe was solved by B.D.Belviso, F.Arnesano, V.Calderone, R.Caliandro, G.Natile, D.Siliqi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.86 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.206, 77.714, 105.615, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 23.1

The structure of Structure of MMP3 Complexed with A Platinum-Based Inhibitor. also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor. (pdb code 4dpe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor., PDB code: 4dpe:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of MMP3 Complexed with A Platinum-Based Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl311 b:28.9 occ:0.95 PT B:PT307 1.5 30.0 0.4 CL B:CL312 2.3 55.0 1.0 ND1 B:HIS224 2.6 51.6 1.0 O B:HOH491 3.1 24.9 1.0 CB B:HIS224 3.2 46.8 1.0 CG B:HIS224 3.3 49.2 1.0 CA B:HIS224 3.3 45.9 1.0 C B:HIS224 3.8 46.6 1.0 CE1 B:HIS224 3.8 54.7 1.0 N B:SER225 3.8 47.1 1.0 N B:LEU226 3.9 47.5 1.0 CB B:LEU226 4.0 48.5 1.0 CD1 B:LEU226 4.3 48.2 1.0 CG B:LEU226 4.4 47.6 1.0 CA B:LEU226 4.5 48.4 1.0 CD2 B:HIS224 4.6 53.2 1.0 O B:HIS224 4.6 47.6 1.0 N B:HIS224 4.7 43.4 1.0 NE2 B:HIS224 4.8 54.8 1.0 CA B:SER225 4.9 47.5 1.0 O B:TYR223 4.9 42.6 1.0 C B:SER225 4.9 47.5 1.0 OG B:SER225 4.9 49.4 1.0

Chlorine binding site 2 out of 2 in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of MMP3 Complexed with A Platinum-Based Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl312 b:55.0 occ:1.00 CL B:CL311 2.3 28.9 0.9 PT B:PT307 2.3 30.0 0.4 O B:HOH491 3.0 24.9 1.0 OG B:SER225 3.9 49.4 1.0 CD1 B:LEU226 3.9 48.2 1.0 N B:SER225 4.1 47.1 1.0 CG B:LEU226 4.2 47.6 1.0 ND1 B:HIS224 4.5 51.6 1.0 N B:LEU226 4.5 47.5 1.0 CA B:HIS224 4.6 45.9 1.0 CB B:LEU226 4.7 48.5 1.0 C B:HIS224 4.8 46.6 1.0 CA B:SER225 5.0 47.5 1.0

B.D.Belviso, R.Caliandro, D.Siliqi, V.Calderone, F.Arnesano, G.Natile. Structure of Matrix Metalloproteinase-3 with A Platinum-Based Inhibitor. Chem.Commun.(Camb.) V. 49 5492 2013.
ISSN: ISSN 1359-7345
PubMed: 23660647
DOI: 10.1039/C3CC41278D