Platinum in PDB 4ja1: 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: 4ja1 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)	34.22 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.119, 77.615, 106.048, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.4

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

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

The binding sites of Platinum atom in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor (pdb code 4ja1). This binding sites where shown within 5.0 Angstroms radius around Platinum atom.
In total 3 binding sites of Platinum where determined in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor, PDB code: 4ja1:
Jump to Platinum binding site number: 1; 2; 3;

Platinum binding site 1 out of 3 in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt 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 A:Pt306 b:39.0 occ:0.60 OE2 A:GLU139 1.6 45.2 1.0 SD A:MET143 1.8 29.4 1.0 CL A:CL307 2.4 34.9 0.6 CD A:GLU139 2.4 44.1 1.0 CE A:MET143 2.6 9.2 1.0 CG A:MET143 2.9 22.1 1.0 O A:HOH444 3.0 23.2 0.6 OE1 A:GLU139 3.0 45.2 1.0 CG A:GLU139 3.5 38.4 1.0 O A:HOH443 3.6 30.8 1.0 CB A:MET143 4.2 18.7 1.0 N A:ALA140 4.3 26.1 1.0 CA A:GLU139 4.3 31.8 1.0 O A:ALA140 4.4 23.7 1.0 CB A:GLU139 4.4 33.7 1.0 C A:GLU139 4.8 29.3 1.0 O A:GLY138 5.0 34.1 1.0

Platinum binding site 2 out of 3 in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt 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:Pt307 b:42.7 occ:0.60 SD B:MET143 1.9 26.7 1.0 O B:HOH440 2.0 29.4 0.6 OE1 B:GLU139 2.0 43.0 1.0 CL B:CL309 2.4 9.6 0.6 CD B:GLU139 2.7 39.7 1.0 OE2 B:GLU139 2.8 38.4 1.0 CG B:MET143 3.0 21.8 1.0 CE B:MET143 3.2 25.2 1.0 O B:HOH402 3.8 29.8 1.0 CG B:GLU139 4.1 37.0 1.0 O B:ALA140 4.3 22.5 1.0 CB B:MET143 4.4 19.5 1.0 CA B:GLU139 4.4 31.7 1.0 CB B:GLU139 4.5 33.6 1.0 N B:ALA140 4.5 25.6 1.0

Platinum binding site 3 out of 3 in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor


Mono view


Stereo pair view

A full contact list of Platinum with other atoms in the Pt binding site number 3 of Structure of MMP3 Complexed with A Platinum-Based Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Pt308 b:36.5 occ:0.60 CL B:CL311 1.7 23.4 0.6 CL B:CL310 1.7 37.4 0.6 ND1 B:HIS224 2.2 47.9 1.0 O B:HOH420 2.2 22.8 0.6 CE1 B:HIS224 3.1 49.2 1.0 CG B:HIS224 3.2 45.5 1.0 CA B:HIS224 3.5 42.5 1.0 CB B:HIS224 3.6 42.7 1.0 O B:TYR223 4.1 38.9 1.0 NE2 B:HIS224 4.3 49.1 1.0 N B:SER225 4.3 45.2 1.0 CD2 B:HIS224 4.3 47.5 1.0 C B:HIS224 4.4 43.7 1.0 N B:HIS224 4.5 39.8 1.0 C B:TYR223 4.7 38.5 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