Chlorine in PDB 7m05: Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988

All present enzymatic activity of Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988:
2.1.1.320;

The binding sites of Chlorine atom in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988 (pdb code 7m05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988, PDB code: 7m05:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:83.5 occ:1.00 CL1 A:YJG701 0.0 83.5 1.0 C14 A:YJG701 1.7 83.5 1.0 C13 A:YJG701 2.7 83.5 1.0 C16 A:YJG701 2.7 83.5 1.0 O17 A:YJG701 2.9 83.5 1.0 SG A:CYS278 3.1 77.5 1.0 H A:GLU276 3.3 81.2 1.0 HB2 A:GLU276 3.3 81.2 1.0 HB3 A:SER279 3.5 79.9 1.0 N A:GLU276 4.0 81.2 1.0 N10 A:YJG701 4.0 83.5 1.0 C12 A:YJG701 4.0 83.5 1.0 HA A:LYS275 4.1 84.6 1.0 HG2 A:GLU276 4.2 81.2 1.0 HD3 A:LYS275 4.2 84.6 1.0 CB A:GLU276 4.2 81.2 1.0 H A:SER279 4.3 79.9 1.0 HD2 A:LYS275 4.4 84.6 1.0 HG A:SER279 4.4 79.9 1.0 CB A:SER279 4.4 79.9 1.0 N11 A:YJG701 4.5 83.5 1.0 O A:GLU276 4.5 81.2 1.0 HB3 A:LYS275 4.6 84.6 1.0 CA A:GLU276 4.6 81.2 1.0 N A:SER279 4.6 79.9 1.0 CG A:GLU276 4.7 81.2 1.0 CD A:LYS275 4.8 84.6 1.0 H12 A:YJG701 4.8 83.5 1.0 OG A:SER279 4.8 79.9 1.0 CB A:CYS278 4.8 77.5 1.0 CA A:LYS275 4.8 84.6 1.0 C A:LYS275 4.9 84.6 1.0 C A:GLU276 4.9 81.2 1.0 HB3 A:GLU276 4.9 81.2 1.0 HA A:SER279 5.0 79.9 1.0 HG3 A:GLU276 5.0 81.2 1.0 CA A:SER279 5.0 79.9 1.0

Chlorine binding site 2 out of 4 in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:83.2 occ:1.00 CL1 C:YJG701 0.0 83.2 1.0 C14 C:YJG701 1.7 83.2 1.0 C13 C:YJG701 2.7 83.2 1.0 C16 C:YJG701 2.7 83.2 1.0 O17 C:YJG701 2.9 83.2 1.0 SG C:CYS278 3.1 77.3 1.0 H C:GLU276 3.3 81.1 1.0 HB2 C:GLU276 3.3 81.1 1.0 HB3 C:SER279 3.5 79.7 1.0 N C:GLU276 4.0 81.1 1.0 N10 C:YJG701 4.0 83.2 1.0 C12 C:YJG701 4.0 83.2 1.0 HA C:LYS275 4.1 84.3 1.0 HG2 C:GLU276 4.2 81.1 1.0 HD3 C:LYS275 4.2 84.3 1.0 CB C:GLU276 4.2 81.1 1.0 H C:SER279 4.3 79.7 1.0 HD2 C:LYS275 4.4 84.3 1.0 HG C:SER279 4.4 79.7 1.0 CB C:SER279 4.4 79.7 1.0 O C:GLU276 4.5 81.1 1.0 N11 C:YJG701 4.5 83.2 1.0 HB3 C:LYS275 4.6 84.3 1.0 CA C:GLU276 4.6 81.1 1.0 N C:SER279 4.6 79.7 1.0 CG C:GLU276 4.7 81.1 1.0 CD C:LYS275 4.8 84.3 1.0 H12 C:YJG701 4.8 83.2 1.0 OG C:SER279 4.8 79.7 1.0 CB C:CYS278 4.8 77.3 1.0 CA C:LYS275 4.8 84.3 1.0 C C:LYS275 4.9 84.3 1.0 C C:GLU276 4.9 81.1 1.0 HB3 C:GLU276 4.9 81.1 1.0 HA C:SER279 5.0 79.7 1.0 HG3 C:GLU276 5.0 81.1 1.0 CA C:SER279 5.0 79.7 1.0

Chlorine binding site 3 out of 4 in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl701 b:83.3 occ:1.00 CL1 E:YJG701 0.0 83.3 1.0 C14 E:YJG701 1.7 83.3 1.0 C13 E:YJG701 2.7 83.3 1.0 C16 E:YJG701 2.7 83.3 1.0 O17 E:YJG701 2.9 83.3 1.0 SG E:CYS278 3.1 77.3 1.0 H E:GLU276 3.3 81.3 1.0 HB2 E:GLU276 3.3 81.3 1.0 HB3 E:SER279 3.5 79.8 1.0 N E:GLU276 4.0 81.3 1.0 N10 E:YJG701 4.0 83.3 1.0 C12 E:YJG701 4.0 83.3 1.0 HA E:LYS275 4.1 84.5 1.0 HG2 E:GLU276 4.2 81.3 1.0 HD3 E:LYS275 4.2 84.5 1.0 CB E:GLU276 4.2 81.3 1.0 H E:SER279 4.3 79.8 1.0 HD2 E:LYS275 4.4 84.5 1.0 HG E:SER279 4.4 79.8 1.0 CB E:SER279 4.4 79.8 1.0 N11 E:YJG701 4.5 83.3 1.0 O E:GLU276 4.5 81.3 1.0 HB3 E:LYS275 4.6 84.5 1.0 CA E:GLU276 4.6 81.3 1.0 N E:SER279 4.6 79.8 1.0 CG E:GLU276 4.7 81.3 1.0 CD E:LYS275 4.8 84.5 1.0 H12 E:YJG701 4.8 83.3 1.0 OG E:SER279 4.8 79.8 1.0 CB E:CYS278 4.8 77.3 1.0 CA E:LYS275 4.8 84.5 1.0 C E:LYS275 4.9 84.5 1.0 C E:GLU276 4.9 81.3 1.0 HB3 E:GLU276 4.9 81.3 1.0 HA E:SER279 5.0 79.8 1.0 HG3 E:GLU276 5.0 81.3 1.0 CA E:SER279 5.0 79.8 1.0

Chlorine binding site 4 out of 4 in the Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryoem Structure of PRMT5 Bound to Covalent Pbm-Site Inhibitor Brd- 6988 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl701 b:83.6 occ:1.00 CL1 G:YJG701 0.0 83.6 1.0 C14 G:YJG701 1.7 83.6 1.0 C13 G:YJG701 2.7 83.6 1.0 C16 G:YJG701 2.7 83.6 1.0 O17 G:YJG701 2.9 83.6 1.0 SG G:CYS278 3.1 77.4 1.0 H G:GLU276 3.3 81.2 1.0 HB2 G:GLU276 3.3 81.2 1.0 HB3 G:SER279 3.5 79.9 1.0 N G:GLU276 4.0 81.2 1.0 N10 G:YJG701 4.0 83.6 1.0 C12 G:YJG701 4.0 83.6 1.0 HA G:LYS275 4.1 84.6 1.0 HG2 G:GLU276 4.2 81.2 1.0 HD3 G:LYS275 4.2 84.6 1.0 CB G:GLU276 4.2 81.2 1.0 H G:SER279 4.3 79.9 1.0 HD2 G:LYS275 4.4 84.6 1.0 HG G:SER279 4.4 79.9 1.0 CB G:SER279 4.4 79.9 1.0 O G:GLU276 4.5 81.2 1.0 N11 G:YJG701 4.5 83.6 1.0 HB3 G:LYS275 4.6 84.6 1.0 CA G:GLU276 4.6 81.2 1.0 N G:SER279 4.6 79.9 1.0 CG G:GLU276 4.7 81.2 1.0 CD G:LYS275 4.8 84.6 1.0 H12 G:YJG701 4.8 83.6 1.0 OG G:SER279 4.8 79.9 1.0 CB G:CYS278 4.8 77.4 1.0 CA G:LYS275 4.8 84.6 1.0 C G:LYS275 4.9 84.6 1.0 C G:GLU276 4.9 81.2 1.0 HB3 G:GLU276 4.9 81.2 1.0 HA G:SER279 5.0 79.9 1.0 HG3 G:GLU276 5.0 81.2 1.0 CA G:SER279 5.0 79.9 1.0

K.M.Mulvaney, B.J.Mcmillan, W.R.Sellers. Discovery of A First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction Biorxiv 2020.
DOI: 10.1101/2021.02.03.429644