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Sodium in PDB 7pg6: Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719

Enzymatic activity of Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719

All present enzymatic activity of Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719:
2.7.1.137; 2.7.1.153; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719, PDB code: 7pg6 was solved by G.Gong, N.Pinotsis, R.L.Williams, B.Vanhaesebroeck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.04 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.87, 105.19, 135.74, 90, 90, 90
R / Rfree (%) 18.7 / 24

Other elements in 7pg6:

The structure of Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719 (pdb code 7pg6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719, PDB code: 7pg6:

Sodium binding site 1 out of 1 in 7pg6

Go back to Sodium Binding Sites List in 7pg6
Sodium binding site 1 out of 1 in the Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp- BYL719 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1102

b:70.4
occ:0.70
 O A:ASP787 2.5 54.9 1.0
OG A:SER790 2.7 65.8 1.0
O A:ASN785 2.8 75.2 1.0
CB A:SER790 3.5 67.4 1.0
C A:ASP787 3.8 64.0 1.0
C A:ASN785 4.0 54.1 1.0
C A:PRO786 4.3 60.7 1.0
N A:SER790 4.4 74.3 1.0
OE1 A:GLN795 4.5 104.3 1.0
N A:ASP787 4.5 58.7 1.0
O A:PRO786 4.5 66.8 1.0
CA A:SER790 4.5 72.9 1.0
OE1 A:GLU791 4.6 93.2 1.0
CA A:ILE788 4.6 70.1 1.0
O A:ILE788 4.6 87.6 1.0
C A:ILE788 4.6 75.4 1.0
CA A:PRO786 4.6 48.9 1.0
N A:ILE788 4.6 62.4 1.0
CA A:ASP787 4.7 54.2 1.0
N A:PRO786 4.8 46.9 1.0

Reference:

G.Gong, N.Pinotsis, R.L.Williams, B.Vanhaesebroeck. Crystal Structure of PI3KALPHA in Complex with the Inhibitor Nvp-BYL719 (to Be Published) To Be Published.
Page generated: Tue Oct 8 18:31:44 2024

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