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Platinum in PDB 4ja1: Structure of MMP3 Complexed with A Platinum-Based Inhibitor

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 4ja1:

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

Platinum Binding Sites:

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 4ja1

Go back to Platinum Binding Sites List in 4ja1
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 4ja1

Go back to Platinum Binding Sites List in 4ja1
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 4ja1

Go back to Platinum Binding Sites List in 4ja1
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

Reference:

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
Page generated: Wed Dec 16 02:04:48 2020

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