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Fluorine in PDB 8am0: Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib)

Enzymatic activity of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib)

All present enzymatic activity of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib):
2.7.1.137; 2.7.1.153; 2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib), PDB code: 8am0 was solved by M.Goncalves, J.L.Johnson, K.M.Roewer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.39 / 2.82
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 99.81, 107.68, 136.3, 90, 90, 90
R / Rfree (%) 28.5 / 30

Other elements in 8am0:

The structure of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib) (pdb code 8am0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib), PDB code: 8am0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 8am0

Go back to Fluorine Binding Sites List in 8am0
Fluorine binding site 1 out of 2 in the Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:45.9
occ:1.00
F1 A:MWF2001 0.0 45.9 1.0
C18 A:MWF2001 1.3 45.9 1.0
F2 A:MWF2001 2.1 45.9 1.0
C15 A:MWF2001 2.4 45.8 1.0
C16 A:MWF2001 3.0 45.8 1.0
CG A:PRO778 3.2 56.2 1.0
OG A:SER774 3.3 59.3 1.0
CB A:SER774 3.4 57.0 1.0
O A:HOH2130 3.5 31.6 1.0
N5 A:MWF2001 3.6 45.8 1.0
O3 A:MWF2001 4.0 45.8 1.0
CB A:PRO778 4.0 55.8 1.0
CE A:MET772 4.1 59.4 1.0
SD A:MET772 4.2 61.1 1.0
CG2 A:ILE800 4.3 47.1 1.0
CD A:PRO778 4.4 54.7 1.0
N3 A:MWF2001 4.4 45.7 1.0
C17 A:MWF2001 4.4 45.8 1.0
C11 A:MWF2001 4.4 45.7 1.0
CD A:LYS802 4.6 54.1 1.0
NZ A:LYS802 4.7 59.8 1.0
CA A:SER774 4.9 55.8 1.0

Fluorine binding site 2 out of 2 in 8am0

Go back to Fluorine Binding Sites List in 8am0
Fluorine binding site 2 out of 2 in the Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human T1061E PI3KALPHA in Complex with Its Regulatory Subunit and the Inhibitor Gdc-0077 (Inavolisib) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:45.9
occ:1.00
F2 A:MWF2001 0.0 45.9 1.0
C18 A:MWF2001 1.3 45.9 1.0
F1 A:MWF2001 2.1 45.9 1.0
C15 A:MWF2001 2.4 45.8 1.0
N5 A:MWF2001 2.8 45.8 1.0
C16 A:MWF2001 2.9 45.8 1.0
O3 A:MWF2001 3.0 45.8 1.0
C17 A:MWF2001 3.2 45.8 1.0
CD1 A:ILE848 3.2 46.2 1.0
C11 A:MWF2001 3.7 45.7 1.0
NZ A:LYS802 3.7 59.8 1.0
CG2 A:ILE800 3.9 47.1 1.0
CE A:LYS802 4.0 57.7 1.0
CD A:LYS802 4.0 54.1 1.0
O4 A:MWF2001 4.1 45.8 1.0
N3 A:MWF2001 4.2 45.7 1.0
O A:HOH2130 4.2 31.6 1.0
CG A:PRO778 4.5 56.2 1.0
CG1 A:ILE848 4.5 45.0 1.0
C12 A:MWF2001 4.6 45.6 1.0
CB A:PRO778 4.7 55.8 1.0
CB A:ILE800 4.8 46.6 1.0
CB A:ILE848 4.8 44.0 1.0
CD1 A:ILE800 4.8 48.8 1.0
CG2 A:ILE848 4.9 44.5 1.0
OG A:SER774 5.0 59.3 1.0

Reference:

T.Lin, S.Ramsamooj, K.Liberatore, L.Lantier, N.Vasan, K.Karukurichi, S.Hwang, E.A.Kesicki, E.R.Kastenhuber, T.Wiederhold, T.M.Yaron, M.Zhu, Y.Ma, M.N.Paddock, G.Zhang, B.D.Hopkins, O.Mcguinness, R.E.Schwartz, L.C.Cantley, J.L.Johnson, M.D.Goncalves. Epinephrine Inhibits PI3K Alpha Via the Hippo Kinases To Be Published.
Page generated: Fri Aug 2 16:31:28 2024

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