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Calcium in PDB 5n5k: Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
Enzymatic activity of Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
All present enzymatic activity of Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide:
3.4.24.65;
3.4.24.65;
Protein crystallography data
The structure of Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide, PDB code: 5n5k
was solved by
V.Calderone,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 25.62 / 1.80 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 50.790, 60.170, 53.730, 90.00, 114.61, 90.00 |
| R / Rfree (%) | 16.7 / 22.7 |
Other elements in 5n5k:
The structure of Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide also contains other interesting chemical elements:
| Zinc | (Zn) | 2 atoms |
Calcium Binding Sites:
The binding sites of Calcium atom in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
(pdb code 5n5k). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide, PDB code: 5n5k:
Jump to Calcium binding site number: 1; 2; 3;
In total 3 binding sites of Calcium where determined in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide, PDB code: 5n5k:
Jump to Calcium binding site number: 1; 2; 3;
Calcium binding site 1 out of 3 in 5n5k
Go back to
Calcium Binding Sites List in 5n5k
Calcium binding site 1 out
of 3 in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
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 Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide within 5.0Å range:
|
Calcium binding site 2 out of 3 in 5n5k
Go back to
Calcium Binding Sites List in 5n5k
Calcium binding site 2 out
of 3 in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
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 Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide within 5.0Å range:
|
Calcium binding site 3 out of 3 in 5n5k
Go back to
Calcium Binding Sites List in 5n5k
Calcium binding site 3 out
of 3 in the Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide
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 Human Catalytic Mmp-12 in Complex with 5-(1,2-Dithiolan-3-Yl)-N-(3- Hydroxypropyl)Pentanamide within 5.0Å range:
|
Reference:
M.Fragai,
G.Comito,
L.Di Cesare Mannelli,
R.Gualdani,
V.Calderone,
A.Louka,
B.Richichi,
O.Francesconi,
A.Angeli,
A.Nocentini,
P.Gratteri,
P.Chiarugi,
C.Ghelardini,
F.Tadini-Buoninsegni,
C.T.Supuran,
C.Nativi.
Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy By Inhibiting Carbonic Anhydrase IX (Caix). J. Med. Chem. V. 60 9003 2017.
ISSN: ISSN 1520-4804
PubMed: 29048889
DOI: 10.1021/ACS.JMEDCHEM.7B01237
Page generated: Mon Jul 15 08:47:41 2024
ISSN: ISSN 1520-4804
PubMed: 29048889
DOI: 10.1021/ACS.JMEDCHEM.7B01237
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