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Magnesium in PDB 6s3c: Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface

Protein crystallography data

The structure of Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface, PDB code: 6s3c was solved by S.Genet, M.Wolter, X.Guillory, B.Somsen, S.Leysen, P.Castaldi, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.68 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.400, 112.570, 62.640, 90.00, 90.00, 90.00
R / Rfree (%) 23 / 25.2

Other elements in 6s3c:

The structure of Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface (pdb code 6s3c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface, PDB code: 6s3c:

Magnesium binding site 1 out of 1 in 6s3c

Go back to Magnesium Binding Sites List in 6s3c
Magnesium binding site 1 out of 1 in the Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fragment Az-019 Binding at the P53PT387/14-3-3 Sigma Interface within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:4.5
occ:1.00
OE2 A:GLU188 2.3 12.6 1.0
O A:HOH529 2.5 14.1 1.0
CD A:GLU188 3.4 10.7 1.0
CG A:GLU188 3.8 9.5 1.0
OE1 A:GLU188 4.5 12.4 1.0
O A:HOH635 4.7 21.5 1.0

Reference:

X.Guillory, M.Wolter, S.Leysen, J.F.Neves, A.Kuusk, S.Genet, B.Somsen, J.Morrow, E.Rivers, L.Van Beek, J.Patel, R.Goodnow, H.Schoenherr, N.Fuller, Q.Cao, R.G.Doveston, L.Brunsveld, M.R.Arkin, M.P.Castaldi, H.Boyd, I.Landrieu, H.Chen, C.Ottmann. Fragment-Based Differential Targeting of Ppi Stabilizer Interfaces. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32501690
DOI: 10.1021/ACS.JMEDCHEM.9B01942
Page generated: Tue Oct 1 17:37:17 2024

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