Atomistry » Fluorine » PDB 4lvt-4mm8 » 4m7i
Atomistry »
  Fluorine »
    PDB 4lvt-4mm8 »
      4m7i »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy