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Iodine in PDB 5nje: The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene.

Enzymatic activity of The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene.

All present enzymatic activity of The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene.:
2.7.11.21;

Protein crystallography data

The structure of The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene., PDB code: 5nje was solved by D.L.Kunciw, M.Rossmann, J.E.Stokes, C.De Fusco, D.R.Spring, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.42 / 1.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 33.402, 93.601, 36.175, 90.00, 101.73, 90.00
R / Rfree (%) 22.4 / 26.6

Other elements in 5nje:

The structure of The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene. also contains other interesting chemical elements:

Bromine (Br) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene. (pdb code 5nje). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene., PDB code: 5nje:

Iodine binding site 1 out of 1 in 5nje

Go back to Iodine Binding Sites List in 5nje
Iodine binding site 1 out of 1 in the The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Structure of the Polo-Box Domain (Pbd) of Polo-Like Kinase 1 (PLK1) in Complex with Alpha-Bromo-3-Iodotoluene. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I701

b:41.2
occ:0.31
 I A:8Z5701 0.0 41.2 0.3
C5 A:8Z5701 2.1 40.7 0.3
C4 A:8Z5701 3.0 36.5 0.3
C6 A:8Z5701 3.1 43.8 0.3
CB A:TYR485 3.9 36.3 1.0
CG A:TYR485 4.0 39.6 1.0
CD2 A:TYR417 4.3 43.4 1.0
CD2 A:TYR485 4.3 42.8 1.0
C3 A:8Z5701 4.3 40.6 0.3
C1 A:8Z5701 4.4 45.4 0.3
O A:TYR481 4.4 33.0 1.0
CD1 A:PHE482 4.4 26.8 1.0
CD1 A:TYR485 4.5 33.7 1.0
CA A:PHE482 4.5 29.4 1.0
CG1 A:VAL415 4.6 29.7 1.0
CE2 A:TYR417 4.6 51.0 1.0
CE1 A:PHE482 4.6 30.2 1.0
C A:TYR481 4.7 35.6 1.0
N A:PHE482 4.7 30.1 1.0
CG A:PHE482 4.8 27.9 1.0
C2 A:8Z5701 4.9 44.1 0.3

Reference:

P.Sharma, R.Mahen, M.Rossmann, J.E.Stokes, B.Hardwick, D.J.Huggins, A.Emery, D.L.Kunciw, M.Hyvonen, D.R.Spring, G.J.Mckenzie, A.R.Venkitaraman. A Cryptic Hydrophobic Pocket in the Polo-Box Domain of the Polo-Like Kinase PLK1 Regulates Substrate Recognition and Mitotic Chromosome Segregation. Sci Rep V. 9 15930 2019.
ISSN: ESSN 2045-2322
PubMed: 31685831
DOI: 10.1038/S41598-019-50702-2
Page generated: Fri Aug 8 20:12:48 2025

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