Magnesium in PDB 4gue: Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin

All present enzymatic activity of Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin:
2.7.11.1;

The structure of Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin, PDB code: 4gue was solved by U.Derewenda, D.Utepbergenov, G.Szukalska, Z.S.Derewenda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.29 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.084, 40.686, 83.264, 90.00, 114.31, 90.00
R / Rfree (%)	17.1 / 20.5

The binding sites of Magnesium atom in the Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin (pdb code 4gue). 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 Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin, PDB code: 4gue:

Magnesium binding site 1 out of 1 in the Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of N-Terminal Kinase Domain of RSK2 with Flavonoid Glycoside Quercitrin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:32.8 occ:1.00 NE2 A:HIS60 3.2 42.9 1.0 N A:ALA136 3.3 29.5 1.0 O A:ALA136 3.5 34.5 1.0 N A:ALA63 3.6 48.2 1.0 CD A:LYS62 3.6 71.8 1.0 NZ A:LYS62 3.6 57.9 1.0 CA A:TYR135 3.6 29.4 1.0 CB A:TYR135 3.7 27.4 1.0 O A:HOH544 3.8 36.4 1.0 CD1 A:TYR135 3.9 28.2 1.0 C A:ALA136 4.0 33.3 1.0 CE A:LYS62 4.0 65.7 1.0 C A:TYR135 4.0 28.9 1.0 CE1 A:HIS60 4.0 47.9 1.0 CA A:LYS62 4.1 57.7 1.0 CB A:ALA63 4.2 41.3 1.0 CG A:TYR135 4.3 28.2 1.0 CA A:ALA136 4.3 30.3 1.0 C A:LYS62 4.3 59.7 1.0 CD2 A:HIS60 4.3 48.2 1.0 CD2 A:PHE137 4.4 38.0 1.0 O A:HOH732 4.4 56.7 1.0 CA A:ALA63 4.4 48.4 1.0 CG A:LYS62 4.6 69.7 1.0 CE1 A:HIS54 4.7 35.6 1.0 CB A:PHE137 4.7 37.7 1.0 N A:PHE137 4.7 33.2 1.0 O A:GLU61 4.8 56.2 1.0 O A:ALA63 4.8 41.7 1.0 CB A:LYS62 4.9 64.2 1.0 N A:TYR135 5.0 29.1 1.0 ND1 A:HIS54 5.0 34.8 1.0 O A:HIS134 5.0 24.6 1.0

U.Derewenda, M.Artamonov, G.Szukalska, D.Utepbergenov, N.Olekhnovich, H.I.Parikh, G.E.Kellogg, A.V.Somlyo, Z.S.Derewenda. Identification of Quercitrin As An Inhibitor of the P90 S6 Ribosomal Kinase (Rsk): Structure of Its Complex with the N-Terminal Domain of RSK2 at 1.8 A Resolution. Acta Crystallogr.,Sect.D V. 69 266 2013.
ISSN: ISSN 0907-4449
PubMed: 23385462
DOI: 10.1107/S0907444912045520