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Chlorine 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:

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

Chlorine binding site 1 out of 4 in 4ja1

Go back to Chlorine Binding Sites List in 4ja1
Chlorine binding site 1 out of 4 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
A:Cl307

b:34.9
occ:0.60
CE A:MET143 1.8 9.2 1.0
SD A:MET143 2.4 29.4 1.0
PT A:PT306 2.4 39.0 0.6
CG A:MET143 2.4 22.1 1.0
N A:ALA140 3.6 26.1 1.0
O A:GLY138 3.7 34.1 1.0
OE2 A:GLU139 3.8 45.2 1.0
NH1 A:ARG100 3.8 40.6 1.0
CB A:MET143 3.8 18.7 1.0
CD A:ARG100 3.9 32.5 1.0
CD A:GLU139 4.1 44.1 1.0
CA A:GLU139 4.1 31.8 1.0
CB A:ALA140 4.2 22.7 1.0
CB A:ARG100 4.3 20.6 1.0
OE1 A:GLU139 4.3 45.2 1.0
C A:GLU139 4.4 29.3 1.0
CZ A:ARG100 4.5 39.4 1.0
CA A:ALA140 4.5 23.9 1.0
NE A:ARG100 4.5 36.9 1.0
O A:ALA140 4.5 23.7 1.0
CG A:ARG100 4.6 25.9 1.0
CA A:MET143 4.6 18.2 1.0
C A:GLY138 4.8 33.5 1.0
CG2 A:VAL102 4.8 19.4 1.0
CG A:GLU139 4.8 38.4 1.0
C A:ALA140 4.9 22.1 1.0
O A:HOH443 5.0 30.8 1.0
N A:GLU139 5.0 32.8 1.0

Chlorine binding site 2 out of 4 in 4ja1

Go back to Chlorine Binding Sites List in 4ja1
Chlorine binding site 2 out of 4 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:Cl309

b:9.6
occ:0.60
CE B:MET143 2.0 25.2 1.0
SD B:MET143 2.2 26.7 1.0
PT B:PT307 2.4 42.7 0.6
CG B:MET143 2.9 21.8 1.0
CG2 B:VAL102 3.8 20.9 1.0
NH1 B:ARG100 4.0 35.2 1.0
OE2 B:GLU139 4.0 38.4 1.0
CB B:MET143 4.1 19.5 1.0
OE1 B:GLU139 4.2 43.0 1.0
O B:HOH440 4.2 29.4 0.6
CD B:GLU139 4.4 39.7 1.0
CZ B:ARG100 4.5 35.0 1.0
CD B:ARG100 4.5 27.5 1.0
NE B:ARG100 4.8 33.1 1.0
O B:GLY138 4.9 34.5 1.0
CG1 B:VAL102 5.0 21.5 1.0

Chlorine binding site 3 out of 4 in 4ja1

Go back to Chlorine Binding Sites List in 4ja1
Chlorine binding site 3 out of 4 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 3 of Structure of MMP3 Complexed with A Platinum-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:37.4
occ:0.60
PT B:PT308 1.7 36.5 0.6
ND1 B:HIS224 2.7 47.9 1.0
O B:HOH420 3.0 22.8 0.6
CE1 B:HIS224 3.2 49.2 1.0
CL B:CL311 3.4 23.4 0.6
O B:TYR223 3.6 38.9 1.0
CG B:HIS224 3.9 45.5 1.0
CD2 B:LEU222 4.0 44.4 1.0
CA B:HIS224 4.2 42.5 1.0
NE2 B:HIS224 4.3 49.1 1.0
C B:TYR223 4.5 38.5 1.0
CB B:HIS224 4.5 42.7 1.0
CD2 B:HIS224 4.7 47.5 1.0
N B:HIS224 4.7 39.8 1.0
CG B:LEU222 5.0 41.4 1.0

Chlorine binding site 4 out of 4 in 4ja1

Go back to Chlorine Binding Sites List in 4ja1
Chlorine binding site 4 out of 4 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 4 of Structure of MMP3 Complexed with A Platinum-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl311

b:23.4
occ:0.60
PT B:PT308 1.7 36.5 0.6
O B:HOH420 2.7 22.8 0.6
ND1 B:HIS224 2.8 47.9 1.0
CB B:HIS224 3.3 42.7 1.0
CG B:HIS224 3.4 45.5 1.0
CL B:CL310 3.4 37.4 0.6
CA B:HIS224 3.6 42.5 1.0
CE1 B:HIS224 3.9 49.2 1.0
N B:LEU226 4.0 47.7 1.0
C B:HIS224 4.0 43.7 1.0
N B:SER225 4.0 45.2 1.0
CB B:LEU226 4.0 48.6 1.0
CA B:LEU226 4.5 48.4 1.0
CD2 B:HIS224 4.6 47.5 1.0
CD1 B:LEU226 4.6 48.6 1.0
CG B:LEU226 4.7 48.1 1.0
O B:HIS224 4.8 44.3 1.0
NE2 B:HIS224 4.8 49.1 1.0
N B:HIS224 4.9 39.8 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: Sat Dec 12 10:47:48 2020

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