Chlorine in PDB 2ieg: Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone

All present enzymatic activity of Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone:
2.4.1.1;

The structure of Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone, PDB code: 2ieg was solved by A.M.Birch, P.W.Kenny, N.G.Oikonomakos, L.Otterbein, P.Schofield, P.R.O.Whittamore, D.P.Whalley, S.Rowsell, R.Pauptit, A.Pannifer, J.Breed, C.Minshull, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.97 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	114.120, 125.156, 128.387, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 26.9

The binding sites of Chlorine atom in the Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone (pdb code 2ieg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone, PDB code: 2ieg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:38.7 occ:1.00 CL A:FRY901 0.0 38.7 1.0 C1 A:FRY901 1.8 39.5 1.0 C5 A:FRY901 2.8 37.0 1.0 S2 A:FRY901 3.0 33.5 1.0 CE3 A:TRP67 3.7 33.1 1.0 CG A:ARG60 3.7 33.9 1.0 CB A:LEU63 3.7 34.0 1.0 CZ3 A:TRP67 3.7 31.6 1.0 O A:ARG60 3.8 31.4 1.0 CG A:PRO229 3.8 30.6 1.0 C4 A:FRY901 4.0 36.2 1.0 CD1 A:LEU63 4.1 30.2 1.0 C3 A:FRY901 4.2 36.7 1.0 CB A:PRO229 4.4 30.3 1.0 CD A:ARG60 4.4 34.8 1.0 CG2 A:VAL64 4.4 36.9 1.0 CG A:LEU63 4.6 32.6 1.0 C A:ARG60 4.6 33.0 1.0 CD A:PRO229 4.6 30.9 1.0 CB A:ARG60 4.6 32.9 1.0 N A:VAL64 4.7 34.9 1.0 CD2 A:TRP67 4.7 31.8 1.0 C A:LEU63 4.7 34.6 1.0 CH2 A:TRP67 4.8 31.9 1.0 CA A:LEU63 4.8 34.1 1.0 CA A:ARG60 4.8 32.5 1.0 CA A:VAL64 4.9 35.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Rabbit Muscle Glycogen Phosphorylase in Complex with 3,4-Dihydro-2-Quinolone within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl902 b:37.1 occ:1.00 CL B:FRY902 0.0 37.1 1.0 C1 B:FRY902 1.8 36.9 1.0 C5 B:FRY902 2.8 34.6 1.0 S2 B:FRY902 3.0 34.5 1.0 CG B:ARG60 3.5 32.9 1.0 O B:ARG60 3.7 32.9 1.0 CB B:LEU63 3.8 34.5 1.0 CG B:PRO229 3.8 32.0 1.0 CE3 B:TRP67 3.8 31.7 1.0 CZ3 B:TRP67 3.9 33.0 1.0 CD1 B:LEU63 3.9 34.5 1.0 C4 B:FRY902 4.0 34.6 1.0 CG2 B:VAL64 4.0 34.1 1.0 C3 B:FRY902 4.2 35.5 1.0 CD B:ARG60 4.3 32.7 1.0 CB B:PRO229 4.4 32.5 1.0 C B:ARG60 4.5 32.1 1.0 CD B:PRO229 4.5 32.0 1.0 CG B:LEU63 4.5 34.9 1.0 CB B:ARG60 4.6 31.4 1.0 N B:VAL64 4.7 34.4 1.0 CA B:ARG60 4.7 31.6 1.0 O A:HOH1029 4.8 38.5 1.0 C B:LEU63 4.8 34.4 1.0 CA B:LEU63 4.9 34.7 1.0 CA B:VAL64 4.9 34.2 1.0 CD2 B:TRP67 4.9 31.9 1.0

A.M.Birch, P.W.Kenny, N.G.Oikonomakos, L.Otterbein, P.Schofield, P.R.Whittamore, D.P.Whalley. Development of Potent, Orally Active 1-Substituted-3,4-Dihydro-2-Quinolone Glycogen Phosphorylase Inhibitors. Bioorg.Med.Chem.Lett. V. 17 394 2007.
ISSN: ISSN 0960-894X
PubMed: 17095214
DOI: 10.1016/J.BMCL.2006.10.037