Magnesium in PDB 8yp5: The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol

All present enzymatic activity of The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol:
2.7.12.2;

The structure of The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol, PDB code: 8yp5 was solved by S.Yumura, T.Kinishita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	68.81, 118.032, 81.52, 90, 90, 90
R / Rfree (%)	23.3 / 32.6

The binding sites of Magnesium atom in the The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol (pdb code 8yp5). 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 The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol, PDB code: 8yp5:

Magnesium binding site 1 out of 1 in the The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of MAP2K4 Complexed with 5Z7-Oxozeaenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:46.0 occ:1.00 O40 A:1FM501 2.6 40.6 1.0 O42 A:1FM501 3.0 51.0 1.0 O A:HOH608 3.2 68.1 1.0 C24 A:1FM501 3.5 57.0 1.0 C40 A:1FM501 3.6 68.3 1.0 OD2 A:ASP229 3.8 57.8 1.0 C39 A:1FM501 3.8 61.2 1.0 O44 A:1FM501 3.9 49.5 1.0 NZ A:LYS231 4.0 39.9 1.0 OD2 A:ASP247 4.0 56.4 1.0 NZ A:LYS131 4.3 67.7 1.0 OD1 A:ASN234 4.4 58.6 1.0 CG A:ASP247 4.4 59.2 1.0 ND2 A:ASN234 4.6 55.4 1.0 CE A:LYS231 4.8 45.3 1.0 OD1 A:ASP247 4.9 45.3 1.0 CG A:ASP229 4.9 55.0 1.0 CG A:ASN234 4.9 55.3 1.0 C34 A:1FM501 4.9 64.8 1.0 CB A:ASP247 4.9 54.4 1.0 OG A:SER233 4.9 58.3 1.0 C41 A:1FM501 5.0 76.3 1.0 CE A:LYS131 5.0 69.7 1.0

S.Yumura, D.Kitagawa, K.Moritsugu, A.Nakayama, T.Shinada, M.Sawa, T.Kinoshita. Conserved Gatekeeper Methionine Regulates the Binding and Access of Kinase Inhibitors to Atp Sites of MAP2K1, 4, and 7: Clues For Developing Selective Inhibitors. Bioorg.Med.Chem.Lett. V. 112 29914 2024.
ISSN: ESSN 1464-3405
PubMed: 39111728
DOI: 10.1016/J.BMCL.2024.129914