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Chlorine in PDB 3mt8: Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone

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

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

Protein crystallography data

The structure of Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone, PDB code: 3mt8 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) 35.69 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.150, 128.150, 115.970, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 21.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone (pdb code 3mt8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone, PDB code: 3mt8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3mt8

Go back to Chlorine Binding Sites List in 3mt8
Chlorine binding site 1 out of 2 in the Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl920

b:31.0
occ:1.00
CL1 A:17T920 0.0 31.0 1.0
C12 A:17T920 1.7 30.5 1.0
C11 A:17T920 2.7 29.8 1.0
C13 A:17T920 2.7 29.8 1.0
CG A:PRO229 3.4 20.9 1.0
CD1 A:LEU63 3.6 25.2 1.0
CD A:PRO229 3.8 20.3 1.0
CZ3 A:TRP67 3.9 25.6 1.0
C10 A:17T920 4.0 30.0 1.0
CB A:ARG60 4.0 21.8 1.0
C14 A:17T920 4.0 29.6 1.0
CB A:LEU63 4.1 25.5 1.0
O A:ARG60 4.1 21.9 1.0
CE3 A:TRP67 4.1 26.2 1.0
CB A:PRO229 4.2 20.7 1.0
C9 A:17T920 4.5 29.7 1.0
CG A:LEU63 4.5 25.8 1.0
CA A:ARG60 4.5 21.8 1.0
CG A:ARG60 4.6 22.6 1.0
CD A:ARG60 4.7 23.6 1.0
CE3 A:TRP189 4.7 21.7 1.0
C A:ARG60 4.7 21.7 1.0
O A:TRP189 4.8 24.4 1.0
CH2 A:TRP67 4.9 25.7 1.0
O A:PRO188 5.0 23.9 1.0

Chlorine binding site 2 out of 2 in 3mt8

Go back to Chlorine Binding Sites List in 3mt8
Chlorine binding site 2 out of 2 in the Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glycogen Phosphorylase Complexed with 4-Chlorobenzaldehyde-4-(Beta-D- Glucopyranosyl)-Thiosemicarbazone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl998

b:32.4
occ:1.00
CL1 A:17T998 0.0 32.4 1.0
C12 A:17T998 1.7 31.7 1.0
C13 A:17T998 2.7 31.8 1.0
C11 A:17T998 2.7 32.1 1.0
OD1 A:ASN282 3.4 36.5 1.0
O A:TYR280 3.5 22.6 1.0
CB A:TYR280 3.5 22.7 1.0
O A:ASN282 3.6 33.2 1.0
CG A:ASN282 3.7 33.8 1.0
ND2 A:ASN282 3.7 35.7 1.0
CZ A:ARG292 3.8 23.9 1.0
NH1 A:ARG292 3.8 22.1 1.0
NH2 A:ARG292 3.9 24.5 1.0
C A:ASN282 4.0 32.8 1.0
C A:TYR280 4.0 23.2 1.0
N A:ASN282 4.0 29.8 1.0
C14 A:17T998 4.0 31.3 1.0
C10 A:17T998 4.0 31.5 1.0
O A:HOH869 4.3 33.4 1.0
O A:HOH864 4.4 31.6 1.0
CA A:ASN282 4.4 31.9 1.0
NE A:ARG292 4.4 23.2 1.0
CA A:TYR280 4.4 22.3 1.0
C9 A:17T998 4.5 30.5 1.0
O A:HOH870 4.6 29.7 1.0
CB A:ASN282 4.6 32.3 1.0
N A:ASP283 4.7 33.8 1.0
CG A:TYR280 4.7 23.0 1.0
ND2 A:ASN133 4.7 19.4 1.0
N A:PRO281 4.7 24.5 1.0
C A:PRO281 4.8 27.8 1.0
O A:HOH868 5.0 46.6 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: Sat Dec 12 09:55:41 2020

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