Fluorine in PDB 7mxa: PRMT5:MEP50 Complexed with Inhibitor Pf-06855800

All present enzymatic activity of PRMT5:MEP50 Complexed with Inhibitor Pf-06855800:
2.1.1.320;

The structure of PRMT5:MEP50 Complexed with Inhibitor Pf-06855800, PDB code: 7mxa was solved by M.Mctigue, Y.L.Deng, W.Liu, A.Brooun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.12 / 2.71
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.171, 138.016, 178.576, 90, 90, 90
R / Rfree (%)	23.2 / 30.7

The structure of PRMT5:MEP50 Complexed with Inhibitor Pf-06855800 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the PRMT5:MEP50 Complexed with Inhibitor Pf-06855800 (pdb code 7mxa). 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 PRMT5:MEP50 Complexed with Inhibitor Pf-06855800, PDB code: 7mxa:

Fluorine binding site 1 out of 1 in the PRMT5:MEP50 Complexed with Inhibitor Pf-06855800


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PRMT5:MEP50 Complexed with Inhibitor Pf-06855800 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:67.6 occ:1.00 F1 A:ZR4701 0.0 67.6 1.0 C14 A:ZR4701 1.4 67.2 1.0 C15 A:ZR4701 2.4 68.3 1.0 C13 A:ZR4701 2.4 66.0 1.0 CL1 A:ZR4701 2.9 71.2 1.0 CD1 A:LEU319 3.2 64.3 1.0 C16 A:ZR4701 3.6 66.5 1.0 C12 A:ZR4701 3.6 65.0 1.0 CB A:PHE327 3.7 85.5 1.0 CG A:PHE327 3.8 86.3 1.0 CD2 A:PHE327 4.0 87.2 1.0 C17 A:ZR4701 4.1 65.5 1.0 O A:HOH854 4.1 48.2 1.0 CD1 A:TYR324 4.2 66.2 1.0 CD1 A:PHE327 4.3 87.2 1.0 CE1 A:TYR324 4.4 66.6 1.0 O A:HOH820 4.5 34.6 1.0 CG A:LEU319 4.6 64.2 1.0 CE2 A:PHE327 4.8 88.0 1.0 CD1 A:LEU312 4.8 58.6 1.0 CA A:TYR324 4.8 70.5 1.0 CG2 A:THR323 4.8 71.8 1.0 O A:THR323 4.9 71.0 1.0 C11 A:ZR4701 4.9 63.5 1.0 O2 A:ZR4701 4.9 63.7 1.0 OE2 A:GLU435 4.9 90.3 1.0

K.Jensen-Pergakes, J.Tatlock, K.A.Maegley, I.J.Mcalpine, M.A.Mctigue, T.Xie, C.P.Dillon, Y.Wang, S.Yamazaki, N.Spiegel, M.Shi, A.Nemeth, N.Miller, E.Hendrickson, H.Lam, J.Sherrill, C.Y.Chung, E.A.Mcmillan, S.K.Bryant, P.Palde, J.Braganza, A.Brooun, Y.L.Deng, V.Goshtasbi, S.E.Kephart, R.A.Kumpf, W.Liu, R.L.Patman, E.Rui, S.Scales, M.Tran-Dube, F.Wang, M.Wythes, T.A.Paul. Sam Competitive PRMT5 Inhibitor Pf-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated Nsclc with Decreased Liability of Drug Resistance. Mol.Cancer Ther. 2021.
ISSN: ESSN 1538-8514
PubMed: 34737197
DOI: 10.1158/1535-7163.MCT-21-0620