Sodium in PDB 7jto: Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb

The structure of Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb, PDB code: 7jto was solved by J.Kottur, R.Jain, A.K.Aggarwal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.96 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.38, 187.83, 49.15, 90, 116.96, 90
R / Rfree (%)	20 / 22.5

The structure of Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Sodium atom in the Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb (pdb code 7jto). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb, PDB code: 7jto:

Sodium binding site 1 out of 1 in the Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Protac MS33 in Complex with the Wd Repeat- Containing Protein 5 and Pvhl:Elonginc:Elonginb within 5.0Å range: probe atom residue distance (Å) B Occ L:Na703 b:28.0 occ:1.00 OD2 L:ASP126 2.6 21.4 1.0 O L:HOH890 2.7 31.7 1.0 O L:HOH849 2.9 23.6 1.0 O L:HOH882 3.1 36.3 1.0 CB L:GLN164 3.5 15.3 1.0 CG2 L:THR124 3.6 17.8 1.0 OG1 L:THR124 3.7 18.9 1.0 CG L:ASP126 3.7 17.5 1.0 NH1 L:ARG82 3.8 17.5 1.0 OE1 L:GLN164 3.9 17.8 1.0 CG L:GLN164 3.9 16.4 1.0 CB L:THR124 4.0 17.2 1.0 CD L:GLN164 4.1 17.3 1.0 OD1 L:ASP126 4.2 17.6 1.0 NH2 L:ARG82 4.2 20.9 1.0 CZ L:ARG82 4.2 21.4 1.0 O L:HOH848 4.2 17.2 1.0 O L:GLN164 4.2 16.7 1.0 CA L:GLN164 4.3 19.2 1.0 NH1 L:ARG161 4.3 20.0 1.0 C L:GLN164 4.4 18.7 1.0 O L:HOH903 4.6 39.1 1.0 CB L:ASP126 5.0 13.9 1.0

X.Yu, D.Li, J.Kottur, Y.Shen, H.S.Kim, K.-S.Park, Y.-H.Tsai, W.Gong, J.Wang, K.Suzuki, J.Parker, L.Herring, H.Kaniskan, L.Cai, R.Jain, J.Liu, A.K.Aggarwal, G.G.Wang, J.Jin. A Selective WDR5 Degrader Inhibits Acute Myeloid Leukemia in Patient-Derived Mouse Models Sci Transl Med 2021.
ISSN: ESSN 1946-6242
DOI: 10.1126/SCITRANSLMED.ABJ1578