Atomistry » Fluorine » PDB 3lz3-3n0n » 3mqf
Atomistry »
  Fluorine »
    PDB 3lz3-3n0n »
      3mqf »

Fluorine in PDB 3mqf: Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone

Enzymatic activity of Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone

All present enzymatic activity of Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone:
2.4.1.1;

Protein crystallography data

The structure of Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone, PDB code: 3mqf was solved by K.-M.Alexacou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.40 / 1.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.897, 128.897, 116.305, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 20.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone (pdb code 3mqf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone, PDB code: 3mqf:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3mqf

Go back to Fluorine Binding Sites List in 3mqf
Fluorine binding site 1 out of 2 in the Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F998

b:49.6
occ:1.00
F1 A:20X998 0.0 49.6 1.0
C12 A:20X998 1.3 49.2 1.0
C13 A:20X998 2.4 49.0 1.0
C11 A:20X998 2.4 48.4 1.0
O A:ASN282 3.3 40.3 1.0
NH2 A:ARG292 3.6 25.2 1.0
C14 A:20X998 3.6 47.9 1.0
CZ A:ARG292 3.7 25.3 1.0
NH1 A:ARG292 3.7 22.8 1.0
C10 A:20X998 3.7 47.4 1.0
O A:TYR280 3.8 23.7 1.0
CB A:TYR280 3.8 23.3 1.0
CB A:ASN282 3.9 37.9 1.0
O A:HOH1026 3.9 36.0 1.0
OD1 A:ASN282 4.0 43.2 1.0
N A:ASN282 4.1 34.0 1.0
C A:ASN282 4.1 39.4 1.0
C9 A:20X998 4.1 46.2 1.0
CA A:ASN282 4.2 37.8 1.0
C A:TYR280 4.3 24.5 1.0
NE A:ARG292 4.3 24.9 1.0
O A:HOH1027 4.4 37.4 1.0
CG A:ASN282 4.4 40.8 1.0
O A:HOH935 4.6 30.3 1.0
ND2 A:ASN133 4.7 21.1 1.0
CA A:TYR280 4.7 23.2 1.0
OE1 A:GLU88 4.8 23.2 1.0
O A:PHE285 4.8 44.6 1.0
CG A:TYR280 5.0 24.1 1.0

Fluorine binding site 2 out of 2 in 3mqf

Go back to Fluorine Binding Sites List in 3mqf
Fluorine binding site 2 out of 2 in the Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Glycogen Phosphorylase Complexed with 4-Fluorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F920

b:30.6
occ:1.00
F1 A:20X920 0.0 30.6 1.0
C12 A:20X920 1.3 29.5 1.0
C11 A:20X920 2.4 28.3 1.0
C13 A:20X920 2.4 28.6 1.0
CG A:PRO229 3.2 21.1 1.0
CD1 A:LEU63 3.5 23.9 1.0
C10 A:20X920 3.6 27.7 1.0
C14 A:20X920 3.6 27.5 1.0
CD A:PRO229 3.7 19.5 1.0
CZ3 A:TRP67 4.0 24.7 1.0
CB A:ARG60 4.0 21.7 1.0
CB A:LEU63 4.0 23.5 1.0
CB A:PRO229 4.1 20.6 1.0
C9 A:20X920 4.1 27.0 1.0
O A:ARG60 4.2 20.8 1.0
CE3 A:TRP67 4.2 25.0 1.0
CG A:LEU63 4.4 24.2 1.0
CA A:ARG60 4.5 21.3 1.0
CG A:ARG60 4.6 22.3 1.0
O A:TRP189 4.6 24.8 1.0
CD A:ARG60 4.7 22.9 1.0
CE3 A:TRP189 4.7 23.0 1.0
C A:ARG60 4.8 21.1 1.0
CH2 A:TRP67 4.9 24.2 1.0

Reference:

K.M.Alexacou, A.C.Tenchiu Deleanu, E.D.Chrysina, M.D.Charavgi, I.D.Kostas, S.E.Zographos, N.G.Oikonomakos, D.D.Leonidas. The Binding of Beta-D-Glucopyranosyl-Thiosemicarbazone Derivatives to Glycogen Phosphorylase: A New Class of Inhibitors Bioorg.Med.Chem. V. 18 7911 2010.
ISSN: ISSN 0968-0896
PubMed: 20947361
DOI: 10.1016/J.BMC.2010.09.039
Page generated: Sun Dec 13 11:51:02 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy