Magnesium in PDB 4u41: MAP4K4 Bound to Inhibitor Compound 1

All present enzymatic activity of MAP4K4 Bound to Inhibitor Compound 1:
2.7.11.1;

The structure of MAP4K4 Bound to Inhibitor Compound 1, PDB code: 4u41 was solved by S.F.Harris, P.Wu, M.Coons, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.29 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.874, 81.347, 93.322, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 25.9

The binding sites of Magnesium atom in the MAP4K4 Bound to Inhibitor Compound 1 (pdb code 4u41). 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 MAP4K4 Bound to Inhibitor Compound 1, PDB code: 4u41:

Magnesium binding site 1 out of 1 in the MAP4K4 Bound to Inhibitor Compound 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of MAP4K4 Bound to Inhibitor Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:46.7 occ:1.00 O A:ILE82 2.3 36.3 1.0 O A:SER77 2.3 43.8 1.0 O A:HIS79 2.5 38.7 1.0 OG1 A:THR84 2.6 50.2 1.0 O A:HOH580 2.6 45.4 1.0 O A:HOH533 2.6 48.1 1.0 N A:HIS79 3.2 38.8 1.0 C A:HIS79 3.3 35.0 1.0 C A:ILE82 3.5 42.0 1.0 C A:SER77 3.5 49.9 1.0 N A:THR84 3.6 44.8 1.0 CB A:THR84 3.7 47.4 1.0 CA A:THR84 3.8 42.4 1.0 CA A:HIS79 3.9 40.2 1.0 CA A:HIS78 4.0 46.9 1.0 C A:HIS78 4.1 47.2 1.0 C A:ALA83 4.1 40.7 1.0 N A:ILE82 4.2 36.8 1.0 N A:HIS78 4.2 47.5 1.0 CA A:ILE82 4.3 37.9 1.0 N A:ARG80 4.3 34.7 1.0 CB A:ILE82 4.4 38.7 1.0 N A:ALA83 4.5 36.2 1.0 OE1 A:GLU106 4.5 46.0 1.0 CA A:ARG80 4.6 38.6 1.0 CA A:ALA83 4.6 39.5 1.0 CA A:SER77 4.6 50.1 1.0 CG2 A:THR84 4.6 44.0 1.0 O A:ALA83 4.7 39.8 1.0 C A:ARG80 4.8 40.4 1.0 NZ A:LYS168 4.9 40.5 1.0 CB A:SER77 4.9 45.9 1.0 CB A:HIS79 4.9 36.5 1.0 CG2 A:ILE82 5.0 39.9 1.0

P.Wu, H.Chen, M.Coons, T.D.Crawford, D.S.Kirkpatrick, L.Murray, C.O.Ndubaku, J.Nonomiya, V.Pham, S.Schmidt, T.Smysczek, P.Vitorino, W.Ye, S.F.Harris. Structural Plasticity and Kinase Activation in A Cohort of MAP4K4 Structures To Be Published.