Barium in PDB 4kq2: GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase

The structure of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase, PDB code: 4kq2 was solved by V.M.Chikwana, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.46 / 2.95
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	193.490, 203.978, 206.307, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.1

The binding sites of Barium atom in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase (pdb code 4kq2). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 7 binding sites of Barium where determined in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase, PDB code: 4kq2:
Jump to Barium binding site number: 1; 2; 3; 4; 5; 6; 7;

Barium binding site 1 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba804 b:0.8 occ:1.00 O A:GLN38 3.1 0.4 1.0 C A:GLN38 4.3 0.3 1.0

Barium binding site 2 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba805 b:0.8 occ:1.00 NH2 A:ARG183 3.8 0.9 1.0 O A:GLY617 4.1 92.5 1.0 CZ A:ARG183 4.3 0.6 1.0 OD1 A:ASP185 4.6 0.7 1.0 NE A:ARG183 4.6 0.4 1.0 NH1 A:ARG183 4.9 1.0 1.0

Barium binding site 3 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 3 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba804 b:0.6 occ:1.00 O B:GLN38 2.7 0.5 1.0 NZ B:LYS40 3.5 0.1 1.0 C B:GLN38 3.9 0.8 1.0 CA B:GLN38 4.5 0.8 1.0 CE B:LYS40 4.6 0.9 1.0 CG B:GLN38 4.7 0.9 1.0 N B:TYR39 5.0 1.0 1.0

Barium binding site 4 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 4 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba805 b:0.8 occ:1.00 O B:ASP539 3.4 94.4 1.0 OD1 B:ASP539 4.1 0.6 1.0 C B:ASP539 4.5 86.7 1.0 CA B:ASP539 4.9 92.3 1.0 CG B:ASP539 4.9 0.4 1.0

Barium binding site 5 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 5 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ C:Ba805 b:0.7 occ:1.00 O C:GLN38 2.8 0.6 1.0 C C:GLN38 4.0 0.1 1.0 CE C:LYS40 4.5 0.3 1.0 CA C:TYR39 4.8 0.1 1.0 N C:TYR39 4.9 0.0 1.0 CD1 C:TYR39 4.9 0.4 1.0 CA C:GLN38 5.0 0.5 1.0

Barium binding site 6 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 6 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Ba804 b:0.0 occ:1.00 O D:GLN38 3.1 0.6 1.0 C D:GLN38 4.2 0.8 1.0 NE2 D:GLN38 4.4 1.0 1.0 CG D:GLN38 4.5 0.0 1.0 CA D:GLN38 4.9 0.0 1.0

Barium binding site 7 out of 7 in the GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 7 of GLUCOSE1,2CYCLIC Phosphate Bound Activated State of Yeast Glycogen Synthase within 5.0Å range: probe atom residue distance (Å) B Occ D:Ba805 b:0.4 occ:1.00 O D:ASP539 3.0 0.8 1.0 OD1 D:ASP539 3.6 0.8 1.0 C D:ASP539 4.1 0.6 1.0 CA D:ASP539 4.7 0.2 1.0 CG D:ASP539 4.7 0.8 1.0

V.M.Chikwana, M.Khanna, S.Baskaran, V.S.Tagliabracci, C.J.Contreras, A.Depaoli-Roach, P.J.Roach, T.D.Hurley. Structural Basis For 2'-Phosphate Incorporation Into Glycogen By Glycogen Synthase. Proc.Natl.Acad.Sci.Usa V. 110 20976 2013.
ISSN: ISSN 0027-8424
PubMed: 24324135
DOI: 10.1073/PNAS.1310106111