Atomistry » Fluorine » PDB 3u5k-3uxm » 3uqu
Atomistry »
  Fluorine »
    PDB 3u5k-3uxm »
      3uqu »

Fluorine in PDB 3uqu: Crystal Structure of BACE1 with Its Inhibitor

Enzymatic activity of Crystal Structure of BACE1 with Its Inhibitor

All present enzymatic activity of Crystal Structure of BACE1 with Its Inhibitor:
3.4.23.46;

Protein crystallography data

The structure of Crystal Structure of BACE1 with Its Inhibitor, PDB code: 3uqu was solved by T.T.Chen, W.Y.Chen, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.56 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 104.467, 128.235, 76.176, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 19.5

Other elements in 3uqu:

The structure of Crystal Structure of BACE1 with Its Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of BACE1 with Its Inhibitor (pdb code 3uqu). 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 BACE1 with Its Inhibitor, PDB code: 3uqu:

Fluorine binding site 1 out of 1 in 3uqu

Go back to Fluorine Binding Sites List in 3uqu
Fluorine binding site 1 out of 1 in the Crystal Structure of BACE1 with Its Inhibitor


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 BACE1 with Its Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F394

b:21.4
occ:1.00
FAI A:ZPX394 0.0 21.4 1.0
CBF A:ZPX394 1.3 17.7 1.0
CAQ A:ZPX394 2.3 16.5 1.0
CAR A:ZPX394 2.4 15.2 1.0
CB A:ALA335 3.0 11.5 1.0
CE1 A:TYR14 3.3 10.7 1.0
O A:HOH653 3.3 28.3 1.0
O A:HOH469 3.4 16.0 1.0
CAS A:ZPX394 3.6 15.2 1.0
CAT A:ZPX394 3.6 16.0 1.0
NH2 A:ARG307 3.7 31.9 1.0
CD1 A:TYR14 3.8 8.5 1.0
OE1 A:GLU339 4.0 16.9 1.0
CBJ A:ZPX394 4.1 15.0 1.0
NH1 A:ARG307 4.1 25.1 1.0
CZ A:ARG307 4.2 31.3 1.0
CZ A:TYR14 4.4 12.7 1.0
N A:GLY13 4.6 14.3 1.0
CA A:ALA335 4.6 9.9 1.0
CA A:GLY13 4.6 12.7 1.0
CA A:THR232 4.6 9.6 1.0
OH A:TYR14 4.7 16.2 1.0
CG2 A:THR232 4.8 12.1 1.0
O A:GLY11 4.8 44.6 1.0
OG1 A:THR232 4.9 15.8 1.0
O A:SER229 4.9 9.7 1.0

Reference:

Y.C.Xu, W.Y.Chen, T.T.Chen. Flexibility of the Flap in the Active Site of BACE1 As Revealed By Crystal Structures and Md Simulations To Be Published.
Page generated: Wed Jul 31 23:07:24 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