Manganese in PDB 3mvh: Crystal Structure of Akt-1-Inhibitor Complexes

All present enzymatic activity of Crystal Structure of Akt-1-Inhibitor Complexes:
2.7.11.1;

The structure of Crystal Structure of Akt-1-Inhibitor Complexes, PDB code: 3mvh was solved by J.Pandit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.354, 55.261, 92.314, 90.00, 102.64, 90.00
R / Rfree (%)	17.8 / 23

The structure of Crystal Structure of Akt-1-Inhibitor Complexes also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Akt-1-Inhibitor Complexes (pdb code 3mvh). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Akt-1-Inhibitor Complexes, PDB code: 3mvh:

Manganese binding site 1 out of 1 in the Crystal Structure of Akt-1-Inhibitor Complexes


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Akt-1-Inhibitor Complexes within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1 b:29.4 occ:1.00 O A:HOH1210 2.2 29.4 1.0 O B:HOH1045 2.3 22.1 1.0 OE2 A:GLU314 2.3 16.8 1.0 O A:HOH1034 2.3 15.1 1.0 NE2 A:HIS354 2.4 23.3 1.0 O A:HOH1057 2.4 23.6 1.0 CD A:GLU314 3.2 20.3 1.0 CE1 A:HIS354 3.3 27.0 1.0 CD2 A:HIS354 3.4 24.0 1.0 OE1 A:GLU314 3.4 17.9 1.0 O A:HOH1113 4.0 28.9 1.0 O A:HOH1163 4.2 38.0 1.0 O B:HOH1003 4.2 17.2 1.0 O B:HOH1033 4.3 23.5 1.0 O B:HOH1009 4.4 21.8 1.0 ND1 A:HIS354 4.5 20.6 1.0 CG A:HIS354 4.5 23.9 1.0 CG A:GLU314 4.6 15.0 1.0 O A:HOH1107 4.6 38.9 1.0 CA B:THR5 4.7 17.2 1.0 O A:GLN352 4.8 23.9 1.0 CG2 B:THR5 4.8 14.4 1.0 CB B:THR5 4.9 16.3 1.0

K.D.Freeman-Cook, C.Autry, G.Borzillo, D.Gordon, E.Barbacci-Tobin, V.Bernardo, D.Briere, T.Clark, M.Corbett, J.Jakubczak, S.Kakar, E.Knauth, B.Lippa, M.J.Luzzio, M.Mansour, G.Martinelli, M.Marx, K.Nelson, J.Pandit, F.Rajamohan, S.Robinson, C.Subramanyam, L.Wei, M.Wythes, J.Morris. Design of Selective, Atp-Competitive Inhibitors of Akt. J.Med.Chem. V. 53 4615 2010.
ISSN: ISSN 0022-2623
PubMed: 20481595
DOI: 10.1021/JM1003842