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Chlorine in PDB 5lxm: Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2

Enzymatic activity of Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2

All present enzymatic activity of Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2, PDB code: 5lxm was solved by P.J.Mcintyre, R.Bayliss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.98 / 2.08
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 79.780, 79.780, 140.260, 90.00, 90.00, 120.00
R / Rfree (%) 20 / 24.3

Other elements in 5lxm:

The structure of Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2 (pdb code 5lxm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2, PDB code: 5lxm:

Chlorine binding site 1 out of 1 in 5lxm

Go back to Chlorine Binding Sites List in 5lxm
Chlorine binding site 1 out of 1 in the Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aurora-A Bound to A Hydrocarbon-Stapled Proteomimetic of TPX2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:0.7
occ:1.00
CB A:TYR338 3.8 67.5 1.0
C A:TYR338 4.3 63.0 1.0
N A:LYS339 4.3 57.1 1.0
CG2 A:ILE301 4.4 71.1 1.0
O A:TYR338 4.4 56.1 1.0
CA A:LYS339 4.7 59.8 1.0
CA A:TYR338 4.7 69.5 1.0
CG A:TYR338 4.8 83.3 1.0
CD2 A:TYR338 4.8 94.4 1.0
O A:GLN335 5.0 72.7 1.0

Reference:

Y.K.Rennie, P.J.Mcintyre, T.Akindele, R.Bayliss, A.G.Jamieson. A TPX2 Proteomimetic Has Enhanced Affinity For Aurora-A Due to Hydrocarbon Stapling of A Helix. Acs Chem. Biol. V. 11 3383 2016.
ISSN: ESSN 1554-8937
PubMed: 27775325
DOI: 10.1021/ACSCHEMBIO.6B00727
Page generated: Sat Dec 12 12:04:36 2020

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