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Fluorine in PDB 4m7i: Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution

Enzymatic activity of Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution

All present enzymatic activity of Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution, PDB code: 4m7i was solved by R.T.Gampe, J.M.Axten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.32 / 2.34
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.060, 101.060, 158.028, 90.00, 90.00, 120.00
R / Rfree (%) 20.7 / 28.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution (pdb code 4m7i). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution, PDB code: 4m7i:

Fluorine binding site 1 out of 1 in 4m7i

Go back to Fluorine Binding Sites List in 4m7i
Fluorine binding site 1 out of 1 in the Crystal Structure of GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution


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 GSK6157 Bound to Perk (R587-R1092, Delete A660- T867) at 2.34A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1101

b:48.7
occ:1.00
 F A:27D1101 0.0 48.7 1.0
C A:27D1101 1.3 46.4 1.0
C11 A:27D1101 2.3 48.3 1.0
C15 A:27D1101 2.4 48.1 1.0
C16 A:27D1101 2.9 46.2 1.0
C10 A:27D1101 3.0 43.4 1.0
C17 A:27D1101 3.2 45.4 1.0
CG2 A:VAL606 3.5 53.5 1.0
C12 A:27D1101 3.6 45.4 1.0
CG1 A:VAL606 3.6 54.1 1.0
C14 A:27D1101 3.7 43.1 1.0
CB A:LYS621 3.8 55.2 1.0
C22 A:27D1101 4.1 45.1 1.0
CD A:LYS621 4.1 56.2 1.0
C13 A:27D1101 4.1 43.8 1.0
CB A:VAL606 4.2 57.8 1.0
N02 A:27D1101 4.3 49.3 1.0
CG A:ASP954 4.3 51.4 1.0
C09 A:27D1101 4.4 45.6 1.0
OD2 A:ASP954 4.4 52.7 1.0
CB A:ASP954 4.5 45.7 1.0
CG A:LYS621 4.5 58.9 1.0
N01 A:27D1101 4.6 47.2 1.0
CA A:LYS621 4.7 54.8 1.0
OD1 A:ASP954 4.7 45.2 1.0
N A:LYS621 4.7 53.1 1.0
C19 A:27D1101 4.7 47.4 1.0
CG A:MET887 4.8 46.3 1.0
C21 A:27D1101 4.9 43.9 1.0
CB A:ALA619 4.9 46.1 1.0
N05 A:27D1101 5.0 43.6 1.0

Reference:

J.M.Axten, S.P.Romeril, A.Shu, J.Ralph, J.R.Medina, Y.Feng, W.H.H.Li, S.W.Grant, D.A.Heerding, E.Minthorn, T.Mencken, N.Gaul, A.Goetz, T.Stanley, A.M.Hassell, R.T.Gampe, C.Atkins, R.Kumar. Discovery of 5-{4-Fluoro-1-[(6-Methyl-2-Pyridinyl)Acetyl]-2,3-Dihydro-1H- Indol-5-Yl}-7-Methyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine (GSK2656157), A Potent and Selective Perk Inhibitor Selected For Preclinical Development To Be Published.
Page generated: Thu Aug 1 03:39:00 2024

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