Chlorine in PDB 7uy1: Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound

All present enzymatic activity of Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound:
2.1.1.320;

The structure of Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound, PDB code: 7uy1 was solved by R.J.Gunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.96 / 2.66
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	101.187, 138.21, 178.564, 90, 90, 90
R / Rfree (%)	26 / 30

The binding sites of Chlorine atom in the Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound (pdb code 7uy1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound, PDB code: 7uy1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:92.9 occ:1.00 N A:SER310 3.7 50.3 1.0 OG A:SER310 3.7 56.1 1.0 O A:LEU308 3.8 63.4 1.0 C A:GLN309 3.9 49.5 1.0 CA A:GLN309 4.0 49.8 1.0 C A:LEU308 4.2 52.8 1.0 CE2 A:TYR502 4.3 39.8 1.0 CD2 A:TYR502 4.3 41.9 1.0 N A:GLN309 4.4 48.9 1.0 CA A:SER310 4.6 49.5 1.0 O A:GLN309 4.6 48.4 1.0 CB A:SER310 4.8 52.5 1.0 CB A:LEU308 4.9 46.4 1.0

Chlorine binding site 2 out of 2 in the Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human PRMT5:MEP50 Complex with Mta and Fragment 5 Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl709 b:95.9 occ:1.00 ND2 A:ASN607 3.8 47.1 1.0 O A:THR629 4.0 50.1 1.0 CG A:LYS610 4.1 62.2 1.0 CB A:LYS610 4.2 56.8 1.0 CZ3 A:TRP612 4.3 42.1 1.0 CG2 A:THR634 4.3 49.5 1.0 CH2 A:TRP612 4.6 39.3 1.0 CG A:ASN607 4.7 47.6 1.0 CE3 A:TRP612 4.7 40.8 1.0 OD1 A:ASN607 4.8 51.7 1.0 C A:THR629 5.0 46.2 1.0

C.R.Smith, S.Kulyk, M.U.D.Ahmad, V.Arkhipova, J.G.Christensen, R.J.Gunn, A.Ivetac, J.M.Ketcham, J.Kuehler, J.D.Lawson, N.C.Thomas, X.Wang, M.A.Marx. Fragment Optimization and Elaboration Strategies - the Discovery of Two Lead Series of PRMT5/Mta Inhibitors From Five Fragment Hits Rsc Med Chem 2022.
ISSN: ESSN 2632-8682
DOI: 10.1039/D2MD00163B