Bromine in PDB 8wbz: Cryo-Em Structure of ACE2-B0AT1 Complex with JX225

The binding sites of Bromine atom in the Cryo-Em Structure of ACE2-B0AT1 Complex with JX225 (pdb code 8wbz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Cryo-Em Structure of ACE2-B0AT1 Complex with JX225, PDB code: 8wbz:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Cryo-Em Structure of ACE2-B0AT1 Complex with JX225


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cryo-Em Structure of ACE2-B0AT1 Complex with JX225 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br703 b:266.4 occ:1.00 BR1 A:XF0703 0.0 266.4 1.0 C15 A:XF0703 2.0 213.6 1.0 C02 A:XF0703 2.9 209.0 1.0 C14 A:XF0703 2.9 210.7 1.0 C01 A:XF0703 3.2 212.0 1.0 SD A:MET423 3.4 56.4 1.0 CD1 A:LEU234 3.8 56.2 1.0 CD1 A:LEU427 4.1 44.1 1.0 CG1 A:VAL317 4.1 42.2 1.0 CE A:MET423 4.2 52.9 1.0 C13 A:XF0703 4.2 207.9 1.0 C03 A:XF0703 4.2 205.8 1.0 CG A:LEU234 4.2 55.7 1.0 CG A:MET423 4.4 45.0 1.0 O A:ASN54 4.7 35.7 1.0 C04 A:XF0703 4.7 206.2 1.0 CB A:VAL317 4.8 43.1 1.0

Bromine binding site 2 out of 2 in the Cryo-Em Structure of ACE2-B0AT1 Complex with JX225


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cryo-Em Structure of ACE2-B0AT1 Complex with JX225 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br703 b:266.4 occ:1.00 BR1 D:XF0703 0.0 266.4 1.0 C15 D:XF0703 2.0 213.6 1.0 C02 D:XF0703 2.9 209.0 1.0 C14 D:XF0703 2.9 210.7 1.0 C01 D:XF0703 3.2 212.0 1.0 SD D:MET423 3.2 62.7 1.0 CD1 D:LEU234 3.9 54.9 1.0 CG1 D:VAL317 4.0 37.5 1.0 C13 D:XF0703 4.2 207.9 1.0 C03 D:XF0703 4.2 205.8 1.0 CD1 D:LEU427 4.3 45.1 1.0 CE D:MET423 4.5 57.3 1.0 CG D:MET423 4.5 51.4 1.0 CD2 D:LEU234 4.7 50.1 1.0 CB D:VAL317 4.7 36.2 1.0 C04 D:XF0703 4.7 206.2 1.0 CD1 D:LEU424 4.8 43.6 1.0 CG D:LEU234 4.8 50.0 1.0 O D:ASN54 4.9 36.7 1.0

J.Xu, Z.Hu, L.Dai, A.Yadav, Y.Jiang, A.Broer, M.G.Gardiner, M.Mcleod, R.Yan, S.Broer. Molecular Basis of Inhibition of the Amino Acid Transporter B 0 AT1 (SLC6A19). Nat Commun V. 15 7224 2024.
ISSN: ESSN 2041-1723
PubMed: 39174516
DOI: 10.1038/S41467-024-51748-1