Atomistry » Fluorine » PDB 1w6j-1xz1 » 1ww3
Atomistry »
  Fluorine »
    PDB 1w6j-1xz1 »
      1ww3 »

Fluorine in PDB 1ww3: Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase

Enzymatic activity of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase

All present enzymatic activity of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase:
2.4.1.1;

Protein crystallography data

The structure of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase, PDB code: 1ww3 was solved by E.Anagnostou, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, T.Hadjiloi, C.Tiraidis, S.E.Zographos, Z.Gyorgydeak, L.Somsak, T.Docsa, P.Gergely, F.N.Kolisis, N.G.Oikonomakos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.07 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.789, 128.789, 116.234, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 21.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase (pdb code 1ww3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase, PDB code: 1ww3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1ww3

Go back to Fluorine Binding Sites List in 1ww3
Fluorine binding site 1 out of 3 in the Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F998

b:26.7
occ:1.00
 F1 A:NTF998 0.0 26.7 1.0
C8 A:NTF998 1.3 23.9 1.0
F2 A:NTF998 2.1 27.8 1.0
F3 A:NTF998 2.1 26.9 1.0
C7 A:NTF998 2.3 23.6 1.0
N1 A:NTF998 2.6 21.2 1.0
O A:HIS377 3.1 20.5 1.0
CG2 A:THR378 3.2 29.0 1.0
CB A:HIS377 3.2 20.3 1.0
CB A:THR378 3.3 26.0 1.0
C A:HIS377 3.3 21.2 1.0
O7 A:NTF998 3.4 24.0 1.0
OD2 A:ASP339 3.7 24.7 1.0
N A:THR378 3.8 22.1 1.0
CA A:HIS377 3.8 19.1 1.0
C1 A:NTF998 4.0 20.8 1.0
CA A:THR378 4.1 23.9 1.0
OD1 A:ASN284 4.2 29.2 1.0
CG A:ASP339 4.3 24.4 1.0
O A:HOH1317 4.3 41.4 1.0
OG1 A:THR378 4.4 29.5 1.0
N A:HIS377 4.4 18.8 1.0
CG A:HIS377 4.5 19.9 1.0
O5 A:NTF998 4.5 18.6 1.0
OD1 A:ASP339 4.6 26.8 1.0
CG A:ASN284 4.7 27.9 1.0
C2 A:NTF998 4.8 21.0 1.0
O A:HOH1314 4.8 30.5 1.0
ND2 A:ASN284 4.8 26.0 1.0

Fluorine binding site 2 out of 3 in 1ww3

Go back to Fluorine Binding Sites List in 1ww3
Fluorine binding site 2 out of 3 in the Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F998

b:27.8
occ:1.00
 F2 A:NTF998 0.0 27.8 1.0
C8 A:NTF998 1.3 23.9 1.0
F1 A:NTF998 2.1 26.7 1.0
F3 A:NTF998 2.1 26.9 1.0
C7 A:NTF998 2.3 23.6 1.0
O7 A:NTF998 2.9 24.0 1.0
O A:HOH1314 3.2 30.5 1.0
OD1 A:ASN284 3.2 29.2 1.0
N1 A:NTF998 3.2 21.2 1.0
CG A:ASN284 3.3 27.9 1.0
CA A:ASN284 3.4 26.5 1.0
O A:HOH1313 3.5 36.3 1.0
ND2 A:ASN284 3.5 26.0 1.0
N A:ASN284 3.7 25.1 1.0
CG2 A:THR378 3.9 29.0 1.0
CB A:ASN284 3.9 25.4 1.0
CB A:THR378 4.1 26.0 1.0
O A:HOH1317 4.3 41.4 1.0
CB A:ALA383 4.3 25.4 1.0
C1 A:NTF998 4.5 20.8 1.0
OG1 A:THR378 4.6 29.5 1.0
C A:ASN284 4.6 26.4 1.0
O A:HIS377 4.7 20.5 1.0
O2 A:NTF998 5.0 19.6 1.0
C A:ASP283 5.0 26.6 1.0

Fluorine binding site 3 out of 3 in 1ww3

Go back to Fluorine Binding Sites List in 1ww3
Fluorine binding site 3 out of 3 in the Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta- D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D- Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F998

b:26.9
occ:1.00
 F3 A:NTF998 0.0 26.9 1.0
C8 A:NTF998 1.3 23.9 1.0
F2 A:NTF998 2.1 27.8 1.0
F1 A:NTF998 2.1 26.7 1.0
C7 A:NTF998 2.3 23.6 1.0
O7 A:NTF998 2.7 24.0 1.0
O A:HOH1314 3.2 30.5 1.0
N1 A:NTF998 3.4 21.2 1.0
CD2 A:LEU136 3.4 30.1 1.0
O A:HOH1317 3.9 41.4 1.0
O A:HOH1313 3.9 36.3 1.0
CE1 A:HIS341 4.1 24.9 1.0
NE2 A:HIS341 4.3 24.6 1.0
CG A:ASP339 4.3 24.4 1.0
OD2 A:ASP339 4.3 24.7 1.0
CB A:HIS377 4.4 20.3 1.0
CG A:LEU136 4.4 23.9 1.0
CB A:LEU136 4.5 20.1 1.0
OD1 A:ASP339 4.5 26.8 1.0
C1 A:NTF998 4.6 20.8 1.0
CD1 A:LEU136 4.7 27.6 1.0
CB A:ASP339 4.8 19.1 1.0
CG2 A:THR378 5.0 29.0 1.0

Reference:

E.Anagnostou, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, T.Hadjiloi, C.Tiraidis, S.E.Zographos, Z.Gyorgydeak, L.Somsak, T.Docsa, P.Gergely, F.N.Kolisis, N.G.Oikonomakos. Crystallographic Studies on Two Bioisosteric Analogues, N-Acetyl-Beta-D-Glucopyranosylamine and N-Trifluoroacetyl-Beta-D-Glucopyranosylamine, Potent Inhibitors of Muscle Glycogen Phosphorylase Bioorg.Med.Chem. V. 14 181 2006.
ISSN: ISSN 0968-0896
PubMed: 16213146
DOI: 10.1016/J.BMC.2005.08.010
Page generated: Wed Jul 31 13:16:10 2024

Last articles

Cl in 3VAV
Cl in 3VA9
Cl in 3V91
Cl in 3V90
Cl in 3V7J
Cl in 3V8Z
Cl in 3V7L
Cl in 3V6N
Cl in 3V8Y
Cl in 3V6E
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy