Bromine in PDB 5i0b: Structure of PAK4

All present enzymatic activity of Structure of PAK4:
2.7.11.1;

The structure of Structure of PAK4, PDB code: 5i0b was solved by S.Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 3.09
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.986, 62.986, 187.111, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 26.9

The binding sites of Bromine atom in the Structure of PAK4 (pdb code 5i0b). 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 Structure of PAK4, PDB code: 5i0b:

Bromine binding site 1 out of 1 in the Structure of PAK4


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of PAK4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:88.9 occ:1.00 BR4 A:67U601 0.0 88.9 1.0 C12 A:67U601 2.0 64.8 1.0 C5 A:67U601 2.9 62.1 1.0 C6 A:67U601 3.0 62.9 1.0 CB A:ALA348 3.9 46.6 1.0 OG A:SER457 3.9 68.9 1.0 CD A:LYS350 3.9 49.4 1.0 SD A:MET395 4.1 63.8 1.0 CB A:MET395 4.2 53.5 1.0 N8 A:67U601 4.2 58.8 1.0 C15 A:67U601 4.2 63.2 1.0 CG A:MET395 4.4 59.2 1.0 CG1 A:VAL379 4.6 51.0 1.0 O A:GLU396 4.7 48.5 1.0 C16 A:67U601 4.7 61.0 1.0 CG A:LYS350 4.7 50.0 1.0 CD1 A:LEU447 4.7 42.3 1.0

J.K.Park, S.Kim, Y.J.Han, S.H.Kim, N.S.Kang, H.Lee, S.Y.Park. The Discovery and the Structural Basis of An Imidazo[4,5-B]Pyridine-Based P21-Activated Kinase 4 Inhibitor Bioorg. Med. Chem. Lett. V. 26 2580 2016.
ISSN: ESSN 1464-3405
PubMed: 27117431
DOI: 10.1016/J.BMCL.2016.04.037