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Magnesium in PDB 4a07: Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket

Enzymatic activity of Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket

All present enzymatic activity of Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket:
2.7.11.1;

Protein crystallography data

The structure of Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket, PDB code: 4a07 was solved by J.O.Schulze, L.A.Lopez-Garcia, W.Froehner, H.Zhang, J.Navratil, V.Hindie, S.Zeuzem, P.M.Alzari, S.Neimanis, M.Engel, R.M.Biondi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.242 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 148.210, 44.030, 47.670, 90.00, 101.23, 90.00
R / Rfree (%) 15.88 / 19.97

Other elements in 4a07:

The structure of Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket also contains other interesting chemical elements:

Chlorine (Cl) 11 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket (pdb code 4a07). 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 Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket, PDB code: 4a07:

Magnesium binding site 1 out of 1 in 4a07

Go back to Magnesium Binding Sites List in 4a07
Magnesium binding site 1 out of 1 in the Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human PDK1 Kinase Domain in Complex with Allosteric Activator PS171 Bound to the Pif-Pocket within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg800

b:50.6
occ:1.00
 OD1 A:ASP223 2.2 33.0 1.0
O2B A:ATP500 2.3 47.5 1.0
O1A A:ATP500 2.3 35.2 1.0
HZ3 A:LYS111 3.0 38.6 1.0
CG A:ASP223 3.1 35.4 1.0
O A:HOH2042 3.2 32.7 1.0
HZ2 A:LYS111 3.2 38.6 1.0
HA A:ASP223 3.3 16.4 1.0
O A:HOH2128 3.3 27.9 0.5
PB A:ATP500 3.5 47.2 1.0
NZ A:LYS111 3.5 32.1 1.0
PA A:ATP500 3.5 31.5 1.0
O3A A:ATP500 3.6 32.1 0.6
O A:HOH2131 3.7 36.8 1.0
HZ1 A:LYS111 3.9 38.6 1.0
OD2 A:ASP223 3.9 33.1 1.0
HB2 A:ASP223 3.9 24.9 1.0
CB A:ASP223 3.9 20.7 1.0
CA A:ASP223 4.1 13.6 1.0
O A:HOH2127 4.4 32.9 0.5
O3G A:ATP500 4.4 45.4 1.0
O A:HOH2043 4.5 42.9 1.0
O1B A:ATP500 4.5 28.4 1.0
O5' A:ATP500 4.6 26.8 1.0
O2A A:ATP500 4.6 40.8 1.0
O3B A:ATP500 4.6 33.5 0.4
O1G A:ATP500 4.7 47.5 1.0
HE3 A:LYS111 4.7 37.1 1.0
CE A:LYS111 4.7 31.0 1.0
OE2 A:GLU130 4.8 42.5 1.0
HG A:SER94 4.8 34.3 1.0
HB3 A:ASP223 4.8 24.9 1.0
H A:ASP223 4.9 19.1 1.0
PG A:ATP500 4.9 41.8 0.6
O A:HOH2048 4.9 41.4 1.0
N A:ASP223 4.9 15.9 1.0

Reference:

L.A.Lopez-Garcia, J.O.Schulze, W.Frohner, H.Zhang, E.Suss, N.Weber, J.Navratil, S.Amon, V.Hindie, S.Zeuzem, T.J.Jorgensen, P.M.Alzari, S.Neimanis, M.Engel, R.M.Biondi. Allosteric Regulation of Protein Kinase Pkczeta By the N- Terminal C1 Domain and Small Compounds to the Pif-Pocket. Chem.Biol. V. 18 1463 2011.
ISSN: ISSN 1074-5521
PubMed: 22118680
DOI: 10.1016/J.CHEMBIOL.2011.08.010
Page generated: Mon Aug 11 05:30:10 2025

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