Chlorine in PDB 6v0p: PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711

All present enzymatic activity of PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711:
2.1.1.320;

The structure of PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711, PDB code: 6v0p was solved by B.J.Mcmillan, D.C.Mckinney, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.73 / 1.88
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.110, 138.570, 178.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23

The binding sites of Chlorine atom in the PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711 (pdb code 6v0p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711, PDB code: 6v0p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:93.5 occ:1.00 CL A:QN4701 0.0 93.5 1.0 C9 A:QN4701 1.7 92.4 1.0 C8 A:QN4701 2.7 88.9 1.0 C10 A:QN4701 2.7 95.2 1.0 O1 A:QN4701 3.0 94.6 1.0 SG A:CYS278 3.3 75.0 1.0 HB2 A:SER279 3.4 66.0 1.0 CB A:GLU276 3.6 76.8 1.0 N1 A:QN4701 4.0 97.8 1.0 C7 A:QN4701 4.0 99.9 1.0 H A:SER279 4.1 63.2 1.0 CB A:SER279 4.4 65.7 1.0 N2 A:QN4701 4.5 98.5 1.0 N A:SER279 4.5 63.2 1.0 HG A:SER279 4.6 73.8 1.0 CA A:GLU276 4.6 75.6 1.0 HA A:SER279 4.7 63.3 1.0 O A:GLU276 4.7 77.7 1.0 OG A:SER279 4.8 73.8 1.0 N A:GLU276 4.8 75.8 1.0 CA A:SER279 4.8 63.2 1.0 H8 A:QN4701 4.9 0.0 1.0 C A:GLU276 4.9 77.2 1.0

Chlorine binding site 2 out of 3 in the PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:60.9 occ:1.00 O A:ARG368 3.2 35.8 1.0 HD3 A:PRO370 3.3 30.9 0.0 HD22 A:ASN373 3.5 37.6 0.0 C A:GLY369 3.7 33.0 1.0 N A:PRO370 3.7 30.9 1.0 HA A:PRO370 3.7 31.4 0.0 HA3 A:GLY369 3.7 28.5 0.0 HD21 A:ASN373 3.8 37.9 0.0 C A:ARG368 3.9 32.3 1.0 HB3 A:PRO370 4.0 31.9 0.0 CD A:PRO370 4.0 30.7 1.0 ND2 A:ASN373 4.0 37.8 1.0 CA A:GLY369 4.0 28.3 1.0 O A:GLY369 4.1 31.8 1.0 CA A:PRO370 4.2 31.2 1.0 N A:GLY369 4.2 27.6 1.0 HB3 A:ARG368 4.3 23.2 0.0 CZ3 A:TRP404 4.4 50.2 1.0 HZ3 A:TRP404 4.5 50.1 0.0 HB2 A:ARG368 4.5 22.8 0.0 HG2 A:GLU328 4.5 46.7 0.0 CB A:PRO370 4.5 31.9 1.0 OE2 A:GLU328 4.6 38.5 1.0 CH2 A:TRP404 4.6 52.1 1.0 CD A:GLU328 4.6 62.4 1.0 CE3 A:TRP404 4.6 47.4 1.0 OE1 A:GLU328 4.7 50.7 1.0 CB A:ARG368 4.8 23.0 1.0 HD2 A:PRO370 4.8 30.5 0.0 HH2 A:TRP404 4.8 52.2 0.0 HZ2 A:TRP409 4.8 44.9 0.0 CG A:PRO370 4.8 34.6 1.0 HE3 A:TRP404 4.9 47.3 0.0 CA A:ARG368 5.0 25.2 1.0 CZ2 A:TRP404 5.0 52.2 1.0

Chlorine binding site 3 out of 3 in the PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:41.5 occ:1.00 H A:LYS200 2.7 14.6 0.0 HA A:SER199 3.1 14.3 0.0 O A:HOH853 3.2 40.3 1.0 HH21 A:ARG485 3.2 25.7 0.0 O A:HOH1001 3.2 38.1 1.0 HE3 A:LYS200 3.4 24.4 0.0 HH22 A:ARG485 3.4 26.0 0.0 HB3 A:LYS200 3.6 17.8 0.0 NH2 A:ARG485 3.6 25.9 1.0 HD3 A:LYS200 3.6 45.9 0.0 HG2 A:LYS200 3.6 44.9 0.0 N A:LYS200 3.7 14.7 1.0 CA A:SER199 4.1 14.3 1.0 CG A:LYS200 4.1 44.9 1.0 CD A:LYS200 4.1 45.9 1.0 CE A:LYS200 4.2 24.5 1.0 CB A:LYS200 4.2 17.8 1.0 HG A:SER199 4.2 13.5 0.0 O A:TYR198 4.3 22.2 1.0 O A:HOH1222 4.3 47.6 1.0 C A:SER199 4.4 20.4 1.0 CA A:LYS200 4.6 14.0 1.0 HE2 A:LYS200 4.6 24.4 0.0 OD1 A:ASN482 4.7 61.0 1.0 CZ A:ARG485 4.7 49.7 1.0 OG A:SER199 4.8 13.7 1.0 CB A:SER199 4.9 16.3 1.0 HB2 A:SER199 4.9 16.4 0.0 N A:SER199 5.0 15.0 1.0 HD21 A:ASN482 5.0 29.2 0.0 C A:TYR198 5.0 21.3 1.0

B.J.Mcmillan, D.C.Mckinney. PRMT5 Complex Bound to Covalent Pbm Inhibitor BRD6711 To Be Published.