Magnesium in PDB 8u37: Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution:
2.7.11.13;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution, PDB code: 8u37 was solved by M.J.Romanowski, J.Lam, M.Visser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.66 / 2.48
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 107.851, 44.41, 84.789, 90, 114.62, 90
R / Rfree (%) 21.8 / 25.8

Other elements in 8u37:

The structure of Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution (pdb code 8u37). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution, PDB code: 8u37:

Magnesium binding site 1 out of 1 in 8u37

Go back to Magnesium Binding Sites List in 8u37
Magnesium binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Catalytic Domain of Human Pkc Alpha (D463N, V568I, S657E) in Complex with Nvp-CJL037 at 2.48-A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:81.0
occ:1.00
 O1P A:TPO497 2.5 81.8 1.0
O2P A:TPO497 3.2 72.1 1.0
P A:TPO497 3.3 68.6 1.0
NZ A:LYS486 3.6 63.4 1.0
OE2 A:GLU382 3.9 95.1 1.0
OG1 A:TPO497 4.0 76.5 1.0
CE A:LYS486 4.1 63.0 1.0
OE1 A:GLU382 4.2 92.0 1.0
CD A:GLU382 4.4 88.4 1.0
CD A:LYS486 4.6 70.1 1.0
O3P A:TPO497 4.8 68.8 1.0

Reference:

M.Visser, J.P.N.Papillon, M.Luzzio, M.J.Lamarche, J.Fan, W.Michael, D.Wang, A.Zhang, C.Straub, S.Mathieu, M.Kato, M.Palermo, C.Chen, T.Ramsey, C.Joud, R.Barrett, A.Vattay, R.Guo, A.Bric, F.Chung, G.Liang, M.J.Romanowski, J.Lam, S.Thohan, F.Atassi, A.Wylie, V.G.Cooke. Discovery of Darovasertib (Nvp-LXS196), A Pan-Pkc Inhibitor For the Treatment of Metastatic Uveal Melanoma. J.Med.Chem. V. 67 1447 2024.
ISSN: ISSN 0022-2623
PubMed: 38198520
DOI: 10.1021/ACS.JMEDCHEM.3C02002
Page generated: Fri Oct 4 21:09:54 2024

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