Atomistry » Zinc » PDB 4iuu-4jd1 » 4ja1
Atomistry »
  Zinc »
    PDB 4iuu-4jd1 »
      4ja1 »

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

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of MMP3 Complexed with A Platinum-Based Inhibitor, PDB code: 4ja1:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 4ja1

Go back to Zinc Binding Sites List in 4ja1
Zinc 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 Zinc with other atoms in the Zn 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:Zn301

b:22.7
occ:1.00
NE2 A:HIS201 1.9 17.2 1.0
NE2 A:HIS205 2.1 11.4 1.0
NE2 A:HIS211 2.1 28.7 1.0
CE1 A:HIS201 2.8 19.3 1.0
CE1 A:HIS205 2.9 14.8 1.0
CD2 A:HIS211 3.0 26.1 1.0
CD2 A:HIS201 3.0 18.7 1.0
CE1 A:HIS211 3.1 29.7 1.0
CD2 A:HIS205 3.2 12.1 1.0
ND1 A:HIS201 3.9 18.7 1.0
CG A:HIS201 4.1 15.8 1.0
ND1 A:HIS205 4.1 14.5 1.0
CG A:HIS211 4.1 26.3 1.0
ND1 A:HIS211 4.1 24.8 1.0
CG A:HIS205 4.2 13.6 1.0
CE A:MET219 4.7 16.0 1.0
OE2 A:GLU202 4.7 17.0 1.0
CA A:PRO221 4.8 39.5 1.0
OE1 A:GLU202 4.9 20.4 1.0
O A:PRO221 5.0 44.6 1.0

Zinc binding site 2 out of 4 in 4ja1

Go back to Zinc Binding Sites List in 4ja1
Zinc 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 Zinc with other atoms in the Zn 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
A:Zn302

b:15.8
occ:1.00
NE2 A:HIS166 2.0 14.4 1.0
NE2 A:HIS151 2.0 14.5 1.0
ND1 A:HIS179 2.0 14.0 1.0
OD2 A:ASP153 2.3 25.6 1.0
CE1 A:HIS166 2.9 13.3 1.0
CE1 A:HIS179 3.0 14.9 1.0
CE1 A:HIS151 3.0 18.5 1.0
CD2 A:HIS151 3.0 17.1 1.0
CD2 A:HIS166 3.0 12.9 1.0
CG A:HIS179 3.1 10.8 1.0
CG A:ASP153 3.2 22.4 1.0
OD1 A:ASP153 3.4 20.4 1.0
CB A:HIS179 3.5 11.6 1.0
ND1 A:HIS166 4.0 13.0 1.0
ND1 A:HIS151 4.1 17.9 1.0
NE2 A:HIS179 4.1 14.1 1.0
CG A:HIS166 4.1 13.2 1.0
CG A:HIS151 4.2 18.6 1.0
CD2 A:HIS179 4.2 12.0 1.0
O A:TYR155 4.3 20.0 1.0
OH A:TYR168 4.3 19.1 1.0
CB A:ASP153 4.5 22.3 1.0
CE1 A:TYR168 4.5 16.3 1.0
CZ A:PHE157 4.7 12.4 1.0
CE2 A:PHE157 4.7 9.7 1.0
CZ A:TYR168 4.9 17.9 1.0
CA A:HIS179 5.0 11.3 1.0

Zinc binding site 3 out of 4 in 4ja1

Go back to Zinc Binding Sites List in 4ja1
Zinc 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 Zinc with other atoms in the Zn 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:Zn301

b:27.0
occ:1.00
NE2 B:HIS205 2.1 20.9 1.0
NE2 B:HIS201 2.1 20.7 1.0
O5 B:NGH306 2.2 38.1 1.0
NE2 B:HIS211 2.3 29.0 1.0
O4 B:NGH306 2.3 34.1 1.0
C11 B:NGH306 2.9 38.7 1.0
N1 B:NGH306 3.0 37.8 1.0
CD2 B:HIS201 3.0 20.4 1.0
CD2 B:HIS205 3.0 20.7 1.0
CD2 B:HIS211 3.1 28.3 1.0
CE1 B:HIS205 3.1 20.0 1.0
CE1 B:HIS201 3.2 21.5 1.0
CE1 B:HIS211 3.4 31.6 1.0
O B:HOH437 4.0 27.4 1.0
ND1 B:HIS205 4.2 21.9 1.0
CG B:HIS205 4.2 20.2 1.0
CG B:HIS201 4.2 20.4 1.0
ND1 B:HIS201 4.3 19.6 1.0
CG B:HIS211 4.3 29.6 1.0
OE2 B:GLU202 4.3 23.8 1.0
C10 B:NGH306 4.4 40.2 1.0
ND1 B:HIS211 4.4 32.2 1.0
C5 B:NGH306 4.7 34.6 1.0
C4 B:NGH306 4.8 32.5 1.0
CB B:PRO221 4.9 34.2 1.0
N B:NGH306 4.9 40.6 1.0
CD B:GLU202 5.0 21.9 1.0
OE1 B:GLU202 5.0 24.2 1.0

Zinc binding site 4 out of 4 in 4ja1

Go back to Zinc Binding Sites List in 4ja1
Zinc 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 Zinc with other atoms in the Zn 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:Zn302

b:20.8
occ:0.99
NE2 B:HIS166 1.9 19.5 1.0
OD2 B:ASP153 2.0 24.8 1.0
NE2 B:HIS151 2.1 19.3 1.0
ND1 B:HIS179 2.1 19.0 1.0
CE1 B:HIS166 2.8 20.4 1.0
CG B:ASP153 2.9 23.1 1.0
CD2 B:HIS166 3.0 21.6 1.0
CE1 B:HIS151 3.1 18.9 1.0
CE1 B:HIS179 3.1 18.7 1.0
CG B:HIS179 3.1 18.6 1.0
CD2 B:HIS151 3.2 19.8 1.0
OD1 B:ASP153 3.2 19.8 1.0
CB B:HIS179 3.5 16.4 1.0
ND1 B:HIS166 4.0 19.1 1.0
OH B:TYR168 4.0 25.6 1.0
CG B:HIS166 4.1 19.2 1.0
CB B:ASP153 4.2 23.1 1.0
ND1 B:HIS151 4.2 19.3 1.0
NE2 B:HIS179 4.2 16.3 1.0
O B:TYR155 4.2 26.2 1.0
CG B:HIS151 4.3 22.3 1.0
CD2 B:HIS179 4.3 17.8 1.0
CE1 B:TYR168 4.5 25.2 1.0
CE2 B:PHE157 4.6 20.0 1.0
CZ B:PHE157 4.7 21.8 1.0
CZ B:TYR168 4.7 27.3 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 05:25:07 2020

Last articles

Zn in 7L3L
Zn in 7KSO
Zn in 7KSR
Zn in 7KTP
Zn in 7LMM
Zn in 7LMK
Zn in 7LLZ
Zn in 7LLF
Zn in 7L0N
Zn in 7LBR
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy