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Bromine in PDB 1uv5: Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime

Enzymatic activity of Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime

All present enzymatic activity of Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime:
2.7.1.37;

Protein crystallography data

The structure of Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime, PDB code: 1uv5 was solved by R.Dajani, L.H.Pearl, S.M.Roe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.46 / 2.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 98.333, 98.333, 198.017, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.6

Other elements in 1uv5:

The structure of Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime also contains other interesting chemical elements:

Cobalt (Co) 1 atom
Chlorine (Cl) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime (pdb code 1uv5). 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 Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime, PDB code: 1uv5:

Bromine binding site 1 out of 1 in 1uv5

Go back to Bromine Binding Sites List in 1uv5
Bromine binding site 1 out of 1 in the Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Glycogen Synthase Kinase 3 Beta Complexed with 6-Bromoindirubin-3'- Oxime within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1383

b:68.2
occ:0.50
 BR21 A:BRW1383 0.0 68.2 0.5
C20 A:BRW1383 1.9 61.5 1.0
C19 A:BRW1383 2.8 61.1 1.0
C21 A:BRW1383 2.9 60.8 1.0
O A:HOH2019 2.9 47.8 1.0
N A:ASP200 3.5 59.5 1.0
CD1 A:LEU132 3.8 55.2 1.0
CD2 A:LEU132 4.0 55.7 1.0
CA A:ASP200 4.0 60.2 1.0
CB A:CYS199 4.1 58.6 1.0
C22 A:BRW1383 4.2 59.0 1.0
C17 A:BRW1383 4.2 60.6 1.0
O A:HOH2017 4.2 57.6 1.0
CD A:LYS85 4.3 62.4 1.0
OE2 A:GLU97 4.3 66.8 1.0
CG1 A:VAL110 4.3 59.8 1.0
CG A:LEU132 4.4 56.9 1.0
C A:CYS199 4.5 58.7 1.0
NZ A:LYS85 4.6 61.4 1.0
CA A:CYS199 4.6 57.7 1.0
SG A:CYS199 4.7 62.6 1.0
C18 A:BRW1383 4.7 60.7 1.0
CB A:ASP200 4.9 62.3 1.0

Reference:

L.Meijer, A.-L.Skaltsounis, P.Magiatis, P.Polychronopoulous, M.Knockaert, M.Leost, X.P.Ryan, C.A.Vonica, A.Brivanlou, R.Dajani, C.Crovace, C.Tarricone, A.Musacchio, S.M.Roe, L.H.Pearl, P.Greengard. Gsk-3-Selective Inhibitors Derived From Tyrian Purple Indurubins Chem.Biol. V. 10 1255 2003.
ISSN: ISSN 1074-5521
PubMed: 14700633
DOI: 10.1016/J.CHEMBIOL.2003.11.010
Page generated: Wed Jul 10 17:27:10 2024

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