Bromine in PDB 3t3g: Glycogen Phosphorylase B in Complex with Glcbru

All present enzymatic activity of Glycogen Phosphorylase B in Complex with Glcbru:
2.4.1.1;

The structure of Glycogen Phosphorylase B in Complex with Glcbru, PDB code: 3t3g was solved by A.L.Kantsadi, V.T.Skamnaki, D.D.Leonidas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.67 / 2.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	128.776, 128.776, 116.594, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.5

The binding sites of Bromine atom in the Glycogen Phosphorylase B in Complex with Glcbru (pdb code 3t3g). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Glycogen Phosphorylase B in Complex with Glcbru, PDB code: 3t3g:

Bromine binding site 1 out of 1 in the Glycogen Phosphorylase B in Complex with Glcbru


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Glycogen Phosphorylase B in Complex with Glcbru within 5.0Å range: probe atom residue distance (Å) B Occ A:Br843 b:27.6 occ:1.00 BR1 A:GPU843 0.0 27.6 1.0 C5 A:GPU843 1.9 24.0 1.0 C6 A:GPU843 2.9 22.0 1.0 C4 A:GPU843 2.9 21.7 1.0 O4 A:GPU843 3.1 17.6 1.0 CB A:THR378 3.8 24.0 1.0 CG2 A:THR378 3.8 22.8 1.0 CB A:HIS377 3.9 18.0 1.0 OD1 A:ASN284 4.0 31.9 1.0 OD1 A:ASP339 4.0 14.1 1.0 O A:HIS377 4.0 17.5 1.0 N1 A:GPU843 4.2 24.7 1.0 C A:HIS377 4.2 18.9 1.0 N3 A:GPU843 4.2 26.5 1.0 CG A:ASP339 4.2 15.9 1.0 OD2 A:ASP339 4.3 13.8 1.0 CD1 A:LEU136 4.4 21.3 1.0 CG A:ASN284 4.5 28.7 1.0 N A:THR378 4.6 21.1 1.0 CB A:ALA383 4.6 22.9 1.0 CA A:HIS377 4.6 18.4 1.0 OG1 A:THR378 4.7 27.0 1.0 C2 A:GPU843 4.7 25.7 1.0 CA A:THR378 4.8 23.4 1.0 CA A:ASN284 4.8 29.2 1.0 ND2 A:ASN284 4.9 27.0 1.0 CG A:HIS377 5.0 18.3 1.0

A.L.Kantsadi, J.M.Hayes, S.Manta, V.T.Skamnaki, C.Kiritsis, A.M.Psarra, Z.Koutsogiannis, A.Dimopoulou, S.Theofanous, N.Nikoleousakos, P.Zoumpoulakis, M.Kontou, G.Papadopoulos, S.E.Zographos, D.Komiotis, D.D.Leonidas. The Sigma-Hole Phenomenon of Halogen Atoms Forms the Structural Basis of the Strong Inhibitory Potency of C5 Halogen Substituted Glucopyranosyl Nucleosides Towards Glycogen Phosphorylase  B Chemmedchem V. 7 722 2012.
ISSN: ISSN 1860-7179
PubMed: 22267166
DOI: 10.1002/CMDC.201100533