Chlorine in PDB 1xoi: Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide

All present enzymatic activity of Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide:
2.4.1.1;

The structure of Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide, PDB code: 1xoi was solved by S.W.Wright, V.L.Rath, E.M.Gibbs, J.L.Treadway, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.00 / 2.10
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	123.906, 123.906, 123.103, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 24.9

The binding sites of Chlorine atom in the Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide (pdb code 1xoi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide, PDB code: 1xoi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl862 b:2.0 occ:1.00 CL11 A:288862 0.0 2.0 1.0 C8 A:288862 1.7 20.0 1.0 C9 A:288862 2.7 24.3 1.0 C4 A:288862 2.7 20.4 1.0 O A:ARG60 3.6 14.7 1.0 CE3 A:TRP67 3.6 15.3 1.0 CB A:LEU63 3.7 15.9 1.0 CG2 A:VAL64 3.7 18.2 1.0 CG A:ARG60 3.7 11.2 1.0 N A:VAL64 3.9 19.9 1.0 CZ3 A:TRP67 3.9 14.9 1.0 C6 A:288862 4.0 12.1 1.0 C1 A:288862 4.0 18.9 1.0 CD1 A:LEU63 4.2 22.6 1.0 CA A:VAL64 4.2 13.4 1.0 C A:LEU63 4.3 33.3 1.0 CG A:PRO229 4.5 16.3 1.0 CD A:ARG60 4.5 19.1 1.0 C A:ARG60 4.5 15.4 1.0 CA A:LEU63 4.5 10.9 1.0 C2 A:288862 4.5 13.4 1.0 CG A:LEU63 4.6 27.1 1.0 O B:HOH1875 4.6 13.3 1.0 CB A:VAL64 4.6 18.4 1.0 CB A:PRO229 4.7 13.5 1.0 CD2 A:TRP67 4.8 26.6 1.0 CB A:ARG60 4.9 19.7 1.0 CA A:ARG60 4.9 14.2 1.0 NE A:ARG60 5.0 21.0 1.0 O A:LEU63 5.0 19.1 1.0

Chlorine binding site 2 out of 2 in the Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Liver Glycogen Phosphorylase A Complexed with Chloroindoloyl Glycine Amide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1862 b:2.0 occ:1.00 CL11 B:2881862 0.0 2.0 1.0 C8 B:2881862 1.7 12.8 1.0 C9 B:2881862 2.7 12.2 1.0 C4 B:2881862 2.7 14.4 1.0 O B:ARG1060 3.4 17.1 1.0 CB B:LEU1063 3.5 17.9 1.0 CG2 B:VAL1064 3.6 19.2 1.0 CE3 B:TRP1067 3.7 16.5 1.0 CG B:ARG1060 3.7 17.7 1.0 N B:VAL1064 3.8 24.3 1.0 C6 B:2881862 4.0 17.0 1.0 CZ3 B:TRP1067 4.0 20.4 1.0 C1 B:2881862 4.0 10.5 1.0 CD1 B:LEU1063 4.1 13.7 1.0 C B:LEU1063 4.2 12.2 1.0 CA B:VAL1064 4.2 16.7 1.0 C B:ARG1060 4.4 16.6 1.0 CA B:LEU1063 4.4 15.0 1.0 CG B:LEU1063 4.4 27.2 1.0 CG B:PRO1229 4.5 25.5 1.0 CD B:ARG1060 4.5 20.8 1.0 C2 B:2881862 4.5 15.3 1.0 CB B:VAL1064 4.6 20.9 1.0 O B:HOH1885 4.6 14.8 1.0 CB B:PRO1229 4.7 8.1 1.0 CD2 B:TRP1067 4.8 17.0 1.0 CA B:ARG1060 4.9 18.8 1.0 CB B:ARG1060 4.9 19.5 1.0 O B:LEU1063 4.9 14.9 1.0 N B:LEU1063 4.9 12.9 1.0 NE B:ARG1060 5.0 16.1 1.0

S.W.Wright, V.L.Rath, P.E.Genereux, D.L.Hageman, C.B.Levy, L.D.Mcclure, S.C.Mccoid, R.K.Mcpherson, T.M.Schelhorn, D.E.Wilder, W.J.Zavadoski, E.M.Gibbs, J.L.Treadway. 5-Chloroindoloyl Glycine Amide Inhibitors of Glycogen Phosphorylase: Synthesis, in Vitro, in Vivo, and X-Ray Crystallographic Characterization. Bioorg.Med.Chem.Lett. V. 15 459 2005.
ISSN: ISSN 0960-894X
PubMed: 15603973
DOI: 10.1016/J.BMCL.2004.10.048