Fluorine in PDB 7w2p: Tudor Domain of Smn in Complex with A Small Molecule

The structure of Tudor Domain of Smn in Complex with A Small Molecule, PDB code: 7w2p was solved by W.Li, C.H.Arrowsmith, A.M.Edwards, Y.Liu, J.Min, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.44 / 1.15
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	35.893, 35.893, 92, 90, 90, 90
R / Rfree (%)	12.8 / 15

The structure of Tudor Domain of Smn in Complex with A Small Molecule also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Tudor Domain of Smn in Complex with A Small Molecule (pdb code 7w2p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Tudor Domain of Smn in Complex with A Small Molecule, PDB code: 7w2p:

Fluorine binding site 1 out of 1 in the Tudor Domain of Smn in Complex with A Small Molecule


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Tudor Domain of Smn in Complex with A Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:13.9 occ:1.00 FAA A:8AI201 0.0 13.9 1.0 CAB A:8AI201 1.4 10.7 1.0 CAC A:8AI201 2.3 11.0 1.0 CAU A:8AI201 2.4 10.0 1.0 CAD A:8AI201 3.6 9.4 1.0 CAT A:8AI201 3.7 9.8 1.0 UNK A:UNX207 3.8 20.8 1.0 CAE A:8AI201 4.1 8.2 1.0 CE1 A:TYR109 4.7 10.6 0.3 OH A:TYR130 4.8 9.6 1.0

Y.Liu, A.Iqbal, W.Li, Z.Ni, Y.Wang, J.Ramprasad, K.J.Abraham, M.Zhang, D.Y.Zhao, S.Qin, P.Loppnau, H.Jiang, X.Guo, P.J.Brown, X.Zhen, G.Xu, K.Mekhail, X.Ji, M.T.Bedford, J.F.Greenblatt, J.Min. A Small Molecule Antagonist of Smn Disrupts the Interaction Between Smn and Rnap II. Nat Commun V. 13 5453 2022.
ISSN: ESSN 2041-1723
PubMed: 36114190
DOI: 10.1038/S41467-022-33229-5