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Bromine in PDB 2bhe: Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine

Enzymatic activity of Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine

All present enzymatic activity of Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine:
2.7.1.37;

Protein crystallography data

The structure of Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine, PDB code: 2bhe was solved by M.Schaefer, R.Jautelat, T.Brumby, H.Briem, G.Eisenbrand, S.Schwahn, M.Krueger, U.Luecking, O.Prien, G.Siemeister, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.685, 71.918, 71.922, 90.00, 90.00, 90.00
R / Rfree (%) 24.6 / 32.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine (pdb code 2bhe). 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 Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine, PDB code: 2bhe:

Bromine binding site 1 out of 1 in 2bhe

Go back to Bromine Binding Sites List in 2bhe
Bromine binding site 1 out of 1 in the Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Cyclin Dependent Protein Kinase 2 in Complex with the Inhibitor 5-Bromo-Indirubine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1299

b:0.9
occ:1.00
 BR1 A:BRY1299 0.0 0.9 1.0
C21 A:BRY1299 1.8 40.3 1.0
C20 A:BRY1299 2.8 35.5 1.0
C22 A:BRY1299 2.8 39.2 1.0
OD2 A:ASP145 3.3 41.8 1.0
CG A:ASP145 3.3 30.0 1.0
CB A:ASP145 3.6 19.3 1.0
CG2 A:VAL18 3.6 32.7 1.0
CD A:LYS33 3.7 44.2 1.0
OD1 A:ASP145 3.9 49.4 1.0
C18 A:BRY1299 4.1 35.5 1.0
C19 A:BRY1299 4.1 37.3 1.0
CE A:LYS33 4.2 52.0 1.0
CG1 A:VAL18 4.4 19.6 1.0
CA A:ASP145 4.5 22.5 1.0
C17 A:BRY1299 4.6 34.9 1.0
CB A:VAL18 4.6 27.8 1.0
CG A:LYS33 4.8 41.0 1.0
N A:ASP145 4.9 24.1 1.0
O1 A:BRY1299 5.0 44.0 1.0
CB A:LYS33 5.0 31.6 1.0

Reference:

M.Schaefer, R.Jautelat, T.Brumby, H.Briem, G.Eisenbrand, S.Schwahn, M.Krueger, U.Luecking, O.Prien, G.Siemeister. From the Insoluble Dye Indirubin Towards Highly Active, Soluble CDK2-Inhibitors Chembiochem V. 6 531 2005.
ISSN: ISSN 1439-4227
PubMed: 15742375
DOI: 10.1002/CBIC.200400108
Page generated: Sat Dec 12 02:05:16 2020

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