Bromine in PDB 6uox: Structure of Itraconazole-Bound NPC1

The structure of Structure of Itraconazole-Bound NPC1 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine atom in the Structure of Itraconazole-Bound NPC1 (pdb code 6uox). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of Itraconazole-Bound NPC1, PDB code: 6uox:

Bromine binding site 1 out of 1 in the Structure of Itraconazole-Bound NPC1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Itraconazole-Bound NPC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1314 b:0.8 occ:1.00 BR32 A:QDG1314 0.0 0.8 1.0 C31 A:QDG1314 1.9 1.0 1.0 C33 A:QDG1314 2.9 0.6 1.0 C30 A:QDG1314 3.0 0.3 1.0 N29 A:QDG1314 3.2 0.4 1.0 OG A:SER865 3.4 0.8 1.0 C28 A:QDG1314 3.5 0.5 1.0 C47 A:QDG1314 3.5 0.8 1.0 CD1 A:ILE1220 3.9 0.4 1.0 CG1 A:ILE1220 3.9 0.3 1.0 CB A:SER865 4.1 0.5 1.0 CD2 A:LEU860 4.2 0.6 1.0 C36 A:QDG1314 4.2 0.5 1.0 C34 A:QDG1314 4.3 0.8 1.0 N26 A:QDG1314 4.3 0.9 1.0 C27 A:QDG1314 4.4 0.7 1.0 C48 A:QDG1314 4.5 0.1 1.0 C35 A:QDG1314 4.7 0.1 1.0 CG2 A:VAL1152 4.8 0.6 1.0 CB A:ILE1220 4.9 0.5 1.0

X.Li, J.De Brabander, T.Long, A.Hassan, X.Qi, Q.Liang. Structural Basis For Itraconazole-Mediated NPC1 Inhibition Nat Commun 2020.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-019-13917-5