Fluorine in PDB 6qm7: Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245

The binding sites of Fluorine atom in the Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245 (pdb code 6qm7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245, PDB code: 6qm7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245 within 5.0Å range: probe atom residue distance (Å) B Occ L:F4000 b:25.4 occ:1.00 F L:J6E4000 0.0 25.4 1.0 C L:J6E4000 1.3 26.1 1.0 C1 L:J6E4000 2.3 26.7 1.0 C10 L:J6E4000 2.4 26.7 1.0 OG L:SER195 2.7 32.0 1.0 C12 L:J6E4000 2.8 35.2 1.0 C11 L:J6E4000 2.9 31.0 1.0 N L:MET196 3.4 27.1 1.0 CA L:GLY146 3.5 38.9 1.0 C2 L:J6E4000 3.6 24.7 1.0 C9 L:J6E4000 3.6 24.9 1.0 C L:SER195 3.6 28.1 1.0 CB L:SER195 3.8 32.1 1.0 OD2 L:ASP215 3.8 49.9 1.0 CA L:SER195 3.8 30.6 1.0 C13 L:J6E4000 3.9 38.3 1.0 N4 L:J6E4000 4.0 35.0 1.0 N L:GLY197 4.1 27.9 1.0 C3 L:J6E4000 4.1 22.8 1.0 CA L:MET196 4.1 28.2 1.0 N L:GLY146 4.2 37.9 1.0 C L:MET196 4.3 26.6 1.0 O L:SER195 4.3 29.7 1.0 C L:GLY146 4.7 38.6 1.0 N L:GLY147 4.7 40.7 1.0 O L:ALA145 4.8 33.8 1.0 C L:ALA145 4.8 35.5 1.0 N2 L:J6E4000 4.9 40.3 1.0 C16 L:J6E4000 4.9 38.9 1.0 CG L:ASP215 4.9 45.7 1.0

Fluorine binding site 2 out of 2 in the Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Leishmania Tarentolae Proteasome 20S Subunit Complexed with GSK3494245 within 5.0Å range: probe atom residue distance (Å) B Occ Z:F4000 b:32.1 occ:1.00 F Z:J6E4000 0.0 32.1 1.0 C Z:J6E4000 1.4 31.6 1.0 C1 Z:J6E4000 2.3 31.0 1.0 C10 Z:J6E4000 2.4 30.2 1.0 OG Z:SER195 2.7 31.5 1.0 C12 Z:J6E4000 2.8 41.8 1.0 C11 Z:J6E4000 2.9 35.6 1.0 CA Z:GLY146 3.5 36.5 1.0 N Z:MET196 3.6 23.2 1.0 C9 Z:J6E4000 3.6 27.5 1.0 C2 Z:J6E4000 3.6 27.7 1.0 C Z:SER195 3.7 25.9 1.0 CB Z:SER195 3.8 30.5 1.0 OD2 Z:ASP215 3.9 43.9 1.0 C13 Z:J6E4000 3.9 47.7 1.0 CA Z:SER195 3.9 28.7 1.0 N4 Z:J6E4000 4.0 39.2 1.0 N Z:GLY197 4.1 24.9 1.0 C3 Z:J6E4000 4.1 26.0 1.0 N Z:GLY146 4.2 35.6 1.0 CA Z:MET196 4.2 24.0 1.0 O Z:SER195 4.3 26.4 1.0 C Z:MET196 4.3 23.4 1.0 C Z:GLY146 4.7 36.4 1.0 O Z:ALA145 4.7 31.1 1.0 N Z:GLY147 4.8 39.8 1.0 C Z:ALA145 4.8 32.3 1.0 C16 Z:J6E4000 4.8 41.6 1.0 N2 Z:J6E4000 4.8 47.3 1.0 CG Z:ASP215 5.0 43.2 1.0

S.Wyllie, S.Brand, M.Thomas, M.De Rycker, C.W.Chung, I.Pena, R.P.Bingham, J.A.Bueren-Calabuig, J.Cantizani, D.Cebrian, P.D.Craggs, L.Ferguson, P.Goswami, J.Hobrath, J.Howe, L.Jeacock, E.J.Ko, J.Korczynska, L.Maclean, S.Manthri, M.S.Martinez, L.Mata-Cantero, S.Moniz, A.Nuhs, M.Osuna-Cabello, E.Pinto, J.Riley, S.Robinson, P.Rowland, F.R.C.Simeons, Y.Shishikura, D.Spinks, L.Stojanovski, J.Thomas, S.Thompson, E.Viayna Gaza, R.J.Wall, F.Zuccotto, D.Horn, M.A.J.Ferguson, A.H.Fairlamb, J.M.Fiandor, J.Martin, D.W.Gray, T.J.Miles, I.H.Gilbert, K.D.Read, M.Marco, P.G.Wyatt. Preclinical Candidate For the Treatment of Visceral Leishmaniasis That Acts Through Proteasome Inhibition. Proc.Natl.Acad.Sci.Usa V. 116 9318 2019.
ISSN: ESSN 1091-6490
PubMed: 30962368
DOI: 10.1073/PNAS.1820175116