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Calcium in PDB 4gr0: Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
Enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B:
3.4.24.65;
3.4.24.65;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B, PDB code: 4gr0
was solved by
E.A.Stura,
L.Vera,
F.Beau,
L.Devel,
E.Cassar-Lajeunesse,
V.Dive,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 32.41 / 1.50 |
| Space group | P 21 21 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 69.770, 62.760, 37.840, 90.00, 90.00, 90.00 |
| R / Rfree (%) | 18.6 / 21.8 |
Other elements in 4gr0:
The structure of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B also contains other interesting chemical elements:
| Bromine | (Br) | 1 atom |
| Chlorine | (Cl) | 1 atom |
| Zinc | (Zn) | 2 atoms |
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
(pdb code 4gr0). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B, PDB code: 4gr0:
Jump to Calcium binding site number: 1; 2; 3;
In total 3 binding sites of Calcium where determined in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B, PDB code: 4gr0:
Jump to Calcium binding site number: 1; 2; 3;
Calcium binding site 1 out of 3 in 4gr0
Go back to
Calcium Binding Sites List in 4gr0
Calcium binding site 1 out
of 3 in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B within 5.0Å range:
|
Calcium binding site 2 out of 3 in 4gr0
Go back to
Calcium Binding Sites List in 4gr0
Calcium binding site 2 out
of 3 in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B within 5.0Å range:
|
Calcium binding site 3 out of 3 in 4gr0
Go back to
Calcium Binding Sites List in 4gr0
Calcium binding site 3 out
of 3 in the Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of the Catalytic Domain of Human MMP12 in Complex with Selective Phosphinic Inhibitor RXP470B within 5.0Å range:
|
Reference:
B.Czarny,
E.A.Stura,
L.Devel,
L.Vera,
E.Cassar-Lajeunesse,
F.Beau,
V.Calderone,
M.Fragai,
C.Luchinat,
V.Dive.
Molecular Determinants of A Selective Matrix Metalloprotease-12 Inhibitor: Insights From Crystallography and Thermodynamic Studies. J.Med.Chem. V. 56 1149 2013.
ISSN: ISSN 0022-2623
PubMed: 23343195
DOI: 10.1021/JM301574D
Page generated: Sun Jul 14 07:22:47 2024
ISSN: ISSN 0022-2623
PubMed: 23343195
DOI: 10.1021/JM301574D
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