Atomistry » Fluorine » PDB 4ncj-4o16 » 4nu1
Atomistry »
  Fluorine »
    PDB 4ncj-4o16 »
      4nu1 »

Fluorine in PDB 4nu1: Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide

Enzymatic activity of Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide

All present enzymatic activity of Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide:
2.7.11.1; 2.7.11.26;

Protein crystallography data

The structure of Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide, PDB code: 4nu1 was solved by M.L.-H.Chu, J.L.Stamos, M.D.Enos, N.Shah, W.I.Weis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.50 / 2.50
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.997, 80.997, 280.530, 90.00, 90.00, 120.00
R / Rfree (%) 19.1 / 24.5

Other elements in 4nu1:

The structure of Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide (pdb code 4nu1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide, PDB code: 4nu1:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4nu1

Go back to Fluorine Binding Sites List in 4nu1
Fluorine binding site 1 out of 3 in the Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide


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 A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F406

b:74.8
occ:1.00
 F1 A:AF3406 0.0 74.8 1.0
AL A:AF3406 1.7 98.7 1.0
MG A:MG403 2.1 53.2 1.0
OD2 A:ASP200 2.6 46.7 1.0
O1B A:ADP405 2.7 65.2 1.0
F2 A:AF3406 2.9 83.4 1.0
F3 A:AF3406 3.0 77.7 1.0
MG A:MG404 3.1 62.0 1.0
OD2 A:ASP181 3.1 53.3 1.0
CE A:LYS183 3.1 48.8 1.0
NZ A:LYS183 3.2 56.1 1.0
OD1 A:ASN186 3.4 43.8 1.0
ND2 A:ASN186 3.4 44.2 1.0
O A:HOH576 3.7 56.1 1.0
CG A:ASP200 3.8 48.2 1.0
CG A:ASN186 3.8 41.9 1.0
O1A A:ADP405 3.9 52.2 1.0
O A:HOH507 4.0 63.5 1.0
PB A:ADP405 4.0 62.3 1.0
CG A:ASP181 4.1 56.4 1.0
O3B A:ADP405 4.2 54.3 1.0
OD1 A:ASP181 4.5 39.8 1.0
OD1 A:ASP200 4.5 45.8 1.0
CD A:LYS183 4.6 39.7 1.0
CB A:ASP200 4.7 51.4 1.0
OG A:SER219 4.9 83.0 1.0
O2B A:ADP405 4.9 56.6 1.0
O3A A:ADP405 5.0 81.2 1.0

Fluorine binding site 2 out of 3 in 4nu1

Go back to Fluorine Binding Sites List in 4nu1
Fluorine binding site 2 out of 3 in the Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide


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 A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F406

b:83.4
occ:1.00
 F2 A:AF3406 0.0 83.4 1.0
AL A:AF3406 1.7 98.7 1.0
MG A:MG404 2.7 62.0 1.0
F1 A:AF3406 2.9 74.8 1.0
F3 A:AF3406 3.0 77.7 1.0
O1B A:ADP405 3.1 65.2 1.0
CZ A:PHE67 3.2 0.5 0.4
CD1 A:PHE67 3.3 0.4 0.6
CE2 A:PHE67 3.4 0.5 0.4
CE1 A:PHE67 3.4 0.8 0.6
N A:SER66 3.6 72.5 0.6
CB A:SER66 3.7 79.5 0.6
O3B A:ADP405 3.7 54.3 1.0
PB A:ADP405 3.7 62.3 1.0
O2B A:ADP405 3.8 56.6 1.0
O A:HOH562 3.9 58.4 1.0
OG A:SER66 4.0 77.1 0.6
OD2 A:ASP200 4.1 46.7 1.0
CA A:SER66 4.2 83.4 0.6
OD2 A:ASP181 4.2 53.3 1.0
CE1 A:PHE67 4.3 0.5 0.4
O A:HOH507 4.3 63.5 1.0
CG A:PHE67 4.5 0.4 0.6
CD2 A:PHE67 4.5 0.7 0.4
N A:PHE67 4.5 0.6 0.6
MG A:MG403 4.5 53.2 1.0
C A:SER66 4.7 95.3 0.6
C A:GLY65 4.7 68.8 0.6
CZ A:PHE67 4.7 0.2 0.6
NZ A:LYS183 4.8 56.1 1.0
CA A:GLY65 4.8 67.1 0.6

Fluorine binding site 3 out of 3 in 4nu1

Go back to Fluorine Binding Sites List in 4nu1
Fluorine binding site 3 out of 3 in the Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of A Transition State Mimic of the Gsk-3/Axin Complex Bound to Phosphorylated N-Terminal Auto-Inhibitory PS9 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F406

b:77.7
occ:1.00
 F3 A:AF3406 0.0 77.7 1.0
AL A:AF3406 1.7 98.7 1.0
F2 A:AF3406 3.0 83.4 1.0
F1 A:AF3406 3.0 74.8 1.0
O1B A:ADP405 3.1 65.2 1.0
N A:SER66 3.2 72.5 0.6
NZ A:LYS183 3.4 56.1 1.0
CA A:GLY65 3.4 67.1 0.6
O A:HOH576 3.5 56.1 1.0
OG A:SER66 3.5 77.1 0.6
C A:GLY65 3.6 68.8 0.6
MG A:MG403 3.9 53.2 1.0
CB A:SER66 4.1 79.5 0.6
CA A:SER66 4.2 83.4 0.6
CE A:LYS183 4.3 48.8 1.0
PB A:ADP405 4.4 62.3 1.0
O2B A:ADP405 4.5 56.6 1.0
O A:GLY65 4.6 72.6 0.6
N A:GLY65 4.8 67.8 0.6
MG A:MG404 4.9 62.0 1.0
CE2 A:PHE67 4.9 0.5 0.4

Reference:

J.L.Stamos, M.L.Chu, M.D.Enos, N.Shah, W.I.Weis. Structural Basis of Gsk-3 Inhibition By N-Terminal Phosphorylation and By the Wnt Receptor LRP6. Elife V. 3 01998 2014.
ISSN: ESSN 2050-084X
PubMed: 24642411
Page generated: Thu Aug 1 04:23:14 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