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Chlorine in PDB 4dpe: 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: 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

Other elements in 4dpe:

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

Chlorine Binding Sites:

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 4dpe

Go back to Chlorine Binding Sites List in 4dpe
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 4dpe

Go back to Chlorine Binding Sites List in 4dpe
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

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 Oct 28 11:40:22 2020

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