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Magnesium in PDB 6hva: Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Enzymatic activity of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
All present enzymatic activity of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13:
3.4.25.1;
3.4.25.1;
Protein crystallography data
The structure of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13, PDB code: 6hva
was solved by
E.M.Huber,
M.Groll,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 15.00 / 2.90 |
| Space group | P 1 21 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 134.870, 300.630, 144.810, 90.00, 112.79, 90.00 |
| R / Rfree (%) | 18.2 / 20.8 |
Other elements in 6hva:
The structure of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 also contains other interesting chemical elements:
| Chlorine | (Cl) | 2 atoms |
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
(pdb code 6hva). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13, PDB code: 6hva:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
In total 8 binding sites of Magnesium where determined in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13, PDB code: 6hva:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;
Magnesium binding site 1 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 1 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 2 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 2 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 3 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 3 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 4 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 4 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 5 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 5 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 6 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 6 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 7 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 7 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Magnesium binding site 8 out of 8 in 6hva
Go back to
Magnesium Binding Sites List in 6hva
Magnesium binding site 8 out
of 8 in the Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Yeast 20S Proteasome with Human BETA2I (1-53) in Complex with 13 within 5.0Å range:
|
Reference:
B.T.Xin,
E.M.Huber,
G.De Bruin,
W.Heinemeyer,
E.Maurits,
C.Espinal,
Y.Du,
M.Janssens,
E.S.Weyburne,
A.F.Kisselev,
B.I.Florea,
C.Driessen,
G.A.Van Der Marel,
M.Groll,
H.S.Overkleeft.
Structure-Based Design of Inhibitors Selective For Human Proteasome Beta 2C or Beta 2I Subunits. J.Med.Chem. V. 62 1626 2019.
ISSN: ISSN 0022-2623
PubMed: 30657666
DOI: 10.1021/ACS.JMEDCHEM.8B01884
Page generated: Tue Oct 1 02:24:44 2024
ISSN: ISSN 0022-2623
PubMed: 30657666
DOI: 10.1021/ACS.JMEDCHEM.8B01884
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