Chlorine 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:

Fluorine

(F)

1 atom

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

Chlorine 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 Chlorine with other atoms in the Cl binding site number 1 of PRMT5:MEP50 Complexed with Inhibitor Pf-06855800 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:71.2 occ:1.00 CL1 A:ZR4701 0.0 71.2 1.0 C15 A:ZR4701 1.7 68.3 1.0 C14 A:ZR4701 2.7 67.2 1.0 C16 A:ZR4701 2.7 66.5 1.0 F1 A:ZR4701 2.9 67.6 1.0 CB A:PHE327 2.9 85.5 1.0 O A:TYR324 3.6 73.2 1.0 C A:PHE327 3.7 86.6 1.0 OE2 A:GLU435 3.7 90.3 1.0 O A:PHE327 3.7 87.1 1.0 CA A:PHE327 3.8 85.5 1.0 OH A:TYR334 3.9 92.7 1.0 CD1 A:TYR324 3.9 66.2 1.0 C13 A:ZR4701 4.0 66.0 1.0 C17 A:ZR4701 4.0 65.5 1.0 CA A:TYR324 4.0 70.5 1.0 CG A:PHE327 4.1 86.3 1.0 N A:GLU328 4.2 87.0 1.0 C A:TYR324 4.3 73.1 1.0 CG A:GLU328 4.4 93.3 1.0 OE2 A:GLU328 4.5 97.9 1.0 C12 A:ZR4701 4.5 65.0 1.0 N A:PHE327 4.6 84.4 1.0 CD A:GLU435 4.6 85.0 1.0 CB A:TYR324 4.6 68.4 1.0 CD2 A:PHE327 4.7 87.2 1.0 CE1 A:TYR324 4.7 66.6 1.0 CG A:TYR324 4.8 66.5 1.0 CD A:GLU328 4.8 96.9 1.0 O A:THR323 4.9 71.0 1.0 OE1 A:GLU435 4.9 83.9 1.0 CA A:GLU328 4.9 87.9 1.0 NZ A:LYS333 5.0 103.3 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