Chlorine in PDB 2iei: 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: 2iei 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)	33.00 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	114.402, 125.344, 129.309, 90.00, 90.00, 90.00
R / Rfree (%)	25.5 / 29.7

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 2iei). 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: 2iei:
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:Cl904 b:31.5 occ:1.00 CL A:FRX904 0.0 31.5 1.0 C1 A:FRX904 1.8 30.8 1.0 C5 A:FRX904 2.8 29.9 1.0 S2 A:FRX904 3.0 28.9 1.0 O A:ARG60 3.5 26.4 1.0 CE3 A:TRP67 3.7 29.2 1.0 CB A:LEU63 3.8 27.4 1.0 CZ3 A:TRP67 3.8 29.5 1.0 C4 A:FRX904 3.9 30.6 1.0 C3 A:FRX904 4.0 29.6 1.0 CD2 A:LEU63 4.2 26.9 1.0 CB A:ARG60 4.3 26.1 1.0 CG2 A:VAL64 4.3 28.6 1.0 CG A:PRO229 4.3 23.7 1.0 CG A:LEU63 4.3 27.1 1.0 C A:ARG60 4.4 26.5 1.0 N A:VAL64 4.5 28.4 1.0 CG A:ARG60 4.5 25.7 1.0 CD A:ARG60 4.6 25.6 1.0 CA A:ARG60 4.6 26.0 1.0 C A:LEU63 4.7 27.9 1.0 CA A:VAL64 4.8 28.7 1.0 CB A:PRO229 4.8 24.4 1.0 CA A:LEU63 4.8 27.6 1.0 CD A:PRO229 4.9 23.8 1.0 CD2 A:TRP67 5.0 28.4 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:Cl903 b:27.2 occ:1.00 CL B:FRX903 0.0 27.2 1.0 C1 B:FRX903 1.8 27.2 1.0 C5 B:FRX903 2.8 26.1 1.0 S2 B:FRX903 3.0 25.8 1.0 CG B:ARG60 3.6 28.5 1.0 O B:ARG60 3.7 25.6 1.0 CE3 B:TRP67 3.7 28.4 1.0 CZ3 B:TRP67 3.7 28.3 1.0 CG1 B:VAL64 3.8 27.4 1.0 C4 B:FRX903 3.8 26.9 1.0 CB B:LEU63 3.9 26.6 1.0 CG B:PRO229 3.9 24.6 1.0 C3 B:FRX903 4.0 27.2 1.0 CD1 B:LEU63 4.2 26.9 1.0 C B:ARG60 4.5 25.9 1.0 N B:VAL64 4.5 27.4 1.0 CB B:PRO229 4.6 25.1 1.0 CB B:ARG60 4.6 27.1 1.0 CD B:PRO229 4.7 25.1 1.0 CD B:ARG60 4.7 30.6 1.0 CG B:LEU63 4.7 25.7 1.0 CA B:ARG60 4.7 26.4 1.0 C B:LEU63 4.8 26.9 1.0 CA B:VAL64 4.8 27.5 1.0 CD2 B:TRP67 4.8 27.8 1.0 CH2 B:TRP67 4.8 28.2 1.0 O A:HOH1193 4.9 24.1 1.0 CA B:LEU63 4.9 26.7 1.0 CB B:VAL64 4.9 27.4 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