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Chlorine in PDB 1wv0: Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

Enzymatic activity of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site

All present enzymatic activity of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site:
2.4.1.1;

Protein crystallography data

The structure of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site, PDB code: 1wv0 was solved by N.G.Oikonomakos, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, T.Klabunde, K.U.Wendt, E.Defossa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.49 / 2.26
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.650, 128.650, 116.065, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 24

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site (pdb code 1wv0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site, PDB code: 1wv0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1wv0

Go back to Chlorine Binding Sites List in 1wv0
Chlorine binding site 1 out of 2 in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl930

b:45.8
occ:1.00
 CL1 A:BN4930 0.0 45.8 1.0
C1 A:BN4930 1.7 44.2 1.0
C6 A:BN4930 2.8 44.6 1.0
C2 A:BN4930 2.8 44.8 1.0
C7 A:BN4930 3.1 45.0 1.0
O1 A:BN4930 3.2 45.5 1.0
O A:TRP67 3.3 26.2 1.0
CG A:GLN71 3.3 32.5 1.0
CD1 A:TRP67 3.4 20.0 1.0
CG A:TRP67 3.5 20.8 1.0
C A:TRP67 3.5 26.2 1.0
NE1 A:TRP67 3.7 20.7 1.0
CD2 A:TRP67 3.8 21.6 1.0
N A:ILE68 3.8 26.6 1.0
CA A:ILE68 3.9 26.3 1.0
CE2 A:TRP67 3.9 20.8 1.0
CB A:GLN71 3.9 30.5 1.0
CB A:TRP67 4.0 22.9 1.0
N1 A:BN4930 4.0 47.4 1.0
C3 A:BN4930 4.2 44.7 1.0
C5 A:BN4930 4.2 43.0 1.0
O A:HOH1202 4.2 51.9 1.0
O A:HOH1187 4.3 41.0 1.0
CA A:TRP67 4.3 25.4 1.0
CG1 A:ILE68 4.5 22.4 1.0
CE3 A:TRP67 4.6 22.2 1.0
CD A:GLN71 4.7 34.9 1.0
C4 A:BN4930 4.7 42.7 1.0
CZ2 A:TRP67 4.8 21.8 1.0
CB A:ILE68 4.9 24.4 1.0
C A:ILE68 4.9 26.9 1.0
C8 A:BN4930 5.0 51.9 1.0

Chlorine binding site 2 out of 2 in 1wv0

Go back to Chlorine Binding Sites List in 1wv0
Chlorine binding site 2 out of 2 in the Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Studies on Acyl Ureas, A New Class of Inhibitors of Glycogen Phosphorylase. Broad Specificity of the Allosteric Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl930

b:48.9
occ:1.00
 CL2 A:BN4930 0.0 48.9 1.0
C3 A:BN4930 1.7 44.7 1.0
C4 A:BN4930 2.6 42.7 1.0
C2 A:BN4930 2.7 44.8 1.0
CG A:LYS191 3.2 37.1 1.0
CB A:LYS191 3.4 33.6 1.0
CD A:ARG193 3.7 39.7 1.0
CH2 A:TRP67 3.7 23.6 1.0
CZ3 A:TRP67 3.9 21.2 1.0
C5 A:BN4930 4.0 43.0 1.0
C1 A:BN4930 4.1 44.2 1.0
CB A:ASP227 4.2 20.3 1.0
NE A:ARG193 4.2 40.3 1.0
CD A:LYS191 4.3 41.5 1.0
CZ2 A:TRP67 4.4 21.8 1.0
O A:LYS191 4.5 24.7 1.0
C6 A:BN4930 4.5 44.6 1.0
OD1 A:ASP227 4.7 24.7 1.0
CZ A:ARG193 4.7 44.3 1.0
CE3 A:TRP67 4.7 22.2 1.0
CA A:LYS191 4.7 28.5 1.0
NH1 A:ARG193 4.7 44.5 1.0
CG A:ARG193 4.7 38.5 1.0
O A:ASP227 4.8 21.9 1.0
C A:LYS191 4.9 26.2 1.0
CG A:ASP227 4.9 21.5 1.0

Reference:

N.G.Oikonomakos, M.N.Kosmopoulou, E.D.Chrysina, D.D.Leonidas, I.D.Kostas, K.U.Wendt, T.Klabunde, E.Defossa. Crystallographic Studies on Acyl Ureas, A New Class of Glycogen Phosphorylase Inhibitors, As Potential Antidiabetic Drugs Protein Sci. V. 14 1760 2005.
ISSN: ISSN 0961-8368
PubMed: 15987904
DOI: 10.1110/PS.051432405
Page generated: Sat Jul 20 03:47:00 2024

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