Chlorine in PDB 9bqi: Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State

The binding sites of Chlorine atom in the Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State (pdb code 9bqi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State, PDB code: 9bqi:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:45.4 occ:1.00 CL A:P6E401 0.0 45.4 1.0 C24 A:P6E401 1.8 45.4 1.0 C26 A:P6E401 2.7 45.4 1.0 C23 A:P6E401 2.7 45.4 1.0 H4 A:P6E401 2.9 45.4 1.0 H14 A:P6E401 2.9 45.4 1.0 HB3 C:ALA93 3.1 46.4 1.0 HG22 A:ILE91 3.1 44.4 1.0 H C:ALA93 3.2 46.4 1.0 HE2 A:PHE294 3.5 43.8 1.0 HB2 C:PRO92 3.6 45.9 1.0 HG3 A:PRO92 3.6 46.2 1.0 CG2 A:ILE91 3.8 44.4 1.0 HG23 A:ILE91 3.8 44.4 1.0 N C:ALA93 3.9 46.4 1.0 CB C:ALA93 3.9 46.4 1.0 H C:GLN94 3.9 49.4 1.0 HB2 C:ALA93 4.0 46.4 1.0 HB3 A:PHE296 4.0 42.5 1.0 HG21 A:ILE91 4.0 44.4 1.0 C22 A:P6E401 4.0 45.4 1.0 C27 A:P6E401 4.0 45.4 1.0 HD3 A:PRO92 4.1 46.2 1.0 HB3 C:PRO92 4.1 45.9 1.0 CE2 A:PHE294 4.2 43.8 1.0 HB3 A:PRO92 4.2 46.2 1.0 O19 C:P6E401 4.2 44.6 1.0 CB C:PRO92 4.3 45.9 1.0 HB2 A:PHE296 4.4 42.5 1.0 CG A:PRO92 4.4 46.2 1.0 CA C:ALA93 4.4 46.4 1.0 C28 A:P6E401 4.5 45.4 1.0 N C:GLN94 4.5 49.4 1.0 CB A:PHE296 4.5 42.5 1.0 CD A:PRO92 4.6 46.2 1.0 HZ A:PHE294 4.6 43.8 1.0 HB1 C:ALA93 4.6 46.4 1.0 N A:PRO92 4.7 46.2 1.0 CB A:PRO92 4.8 46.2 1.0 CZ A:PHE294 4.8 43.8 1.0 C C:PRO92 4.8 45.9 1.0 CG A:PHE296 4.8 42.5 1.0 H5 A:P6E401 4.9 45.4 1.0 C A:ILE91 4.9 44.4 1.0 HA A:PRO92 4.9 46.2 1.0 HB2 C:GLN94 5.0 49.4 1.0 C C:ALA93 5.0 46.4 1.0 HA C:PRO92 5.0 45.9 1.0 CA C:PRO92 5.0 45.9 1.0 HD2 A:PHE294 5.0 43.8 1.0

Chlorine binding site 2 out of 3 in the Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:44.6 occ:1.00 CL C:P6E401 0.0 44.6 1.0 C24 C:P6E401 1.8 44.6 1.0 C26 C:P6E401 2.7 44.6 1.0 C23 C:P6E401 2.7 44.6 1.0 H4 C:P6E401 2.9 44.6 1.0 H14 C:P6E401 2.9 44.6 1.0 HB3 B:ALA93 3.1 45.8 1.0 HG22 C:ILE91 3.1 43.2 1.0 H B:ALA93 3.2 45.8 1.0 HE2 C:PHE294 3.5 41.9 1.0 HB2 B:PRO92 3.6 45.8 1.0 HG3 C:PRO92 3.6 45.9 1.0 CG2 C:ILE91 3.8 43.2 1.0 HG23 C:ILE91 3.8 43.2 1.0 N B:ALA93 3.9 45.8 1.0 CB B:ALA93 3.9 45.8 1.0 H B:GLN94 3.9 47.9 1.0 HB2 B:ALA93 4.0 45.8 1.0 HB3 C:PHE296 4.0 41.4 1.0 HG21 C:ILE91 4.0 43.2 1.0 C22 C:P6E401 4.0 44.6 1.0 C27 C:P6E401 4.0 44.6 1.0 HD3 C:PRO92 4.1 45.9 1.0 HB3 B:PRO92 4.1 45.8 1.0 CE2 C:PHE294 4.2 41.9 1.0 HB3 C:PRO92 4.2 45.9 1.0 O19 B:P6E401 4.2 44.6 1.0 CB B:PRO92 4.3 45.8 1.0 HB2 C:PHE296 4.4 41.4 1.0 CG C:PRO92 4.4 45.9 1.0 CA B:ALA93 4.4 45.8 1.0 N B:GLN94 4.5 47.9 1.0 C28 C:P6E401 4.5 44.6 1.0 CB C:PHE296 4.6 41.4 1.0 CD C:PRO92 4.6 45.9 1.0 HZ C:PHE294 4.6 41.9 1.0 HB1 B:ALA93 4.6 45.8 1.0 N C:PRO92 4.7 45.9 1.0 CB C:PRO92 4.7 45.9 1.0 CZ C:PHE294 4.8 41.9 1.0 C B:PRO92 4.8 45.8 1.0 CG C:PHE296 4.8 41.4 1.0 H5 C:P6E401 4.9 44.6 1.0 C C:ILE91 4.9 43.2 1.0 HA C:PRO92 4.9 45.9 1.0 HB2 B:GLN94 5.0 47.9 1.0 HA B:PRO92 5.0 45.8 1.0 CA B:PRO92 5.0 45.8 1.0 C B:ALA93 5.0 45.8 1.0

Chlorine binding site 3 out of 3 in the Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of Bay-1797 Bound to the Full-Length Human P2X4 Receptor in the Closed State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:44.6 occ:1.00 CL B:P6E401 0.0 44.6 1.0 C24 B:P6E401 1.8 44.6 1.0 C26 B:P6E401 2.7 44.6 1.0 C23 B:P6E401 2.7 44.6 1.0 H4 B:P6E401 2.9 44.6 1.0 H14 B:P6E401 2.9 44.6 1.0 HB3 A:ALA93 3.1 46.4 1.0 HG22 B:ILE91 3.1 43.5 1.0 H A:ALA93 3.2 46.4 1.0 HE2 B:PHE294 3.5 43.4 1.0 HB2 A:PRO92 3.6 46.2 1.0 HG3 B:PRO92 3.6 45.8 1.0 CG2 B:ILE91 3.8 43.5 1.0 HG23 B:ILE91 3.8 43.5 1.0 N A:ALA93 3.9 46.4 1.0 CB A:ALA93 3.9 46.4 1.0 H A:GLN94 3.9 48.7 1.0 HG21 B:ILE91 4.0 43.5 1.0 HB3 B:PHE296 4.0 42.6 1.0 HB2 A:ALA93 4.0 46.4 1.0 C22 B:P6E401 4.0 44.6 1.0 C27 B:P6E401 4.0 44.6 1.0 HD3 B:PRO92 4.1 45.8 1.0 HB3 A:PRO92 4.1 46.2 1.0 CE2 B:PHE294 4.2 43.4 1.0 HB3 B:PRO92 4.2 45.8 1.0 O19 A:P6E401 4.2 45.4 1.0 CB A:PRO92 4.3 46.2 1.0 HB2 B:PHE296 4.4 42.6 1.0 CG B:PRO92 4.4 45.8 1.0 CA A:ALA93 4.4 46.4 1.0 C28 B:P6E401 4.5 44.6 1.0 N A:GLN94 4.5 48.7 1.0 CB B:PHE296 4.6 42.6 1.0 CD B:PRO92 4.6 45.8 1.0 HZ B:PHE294 4.6 43.4 1.0 HB1 A:ALA93 4.6 46.4 1.0 N B:PRO92 4.7 45.8 1.0 CB B:PRO92 4.7 45.8 1.0 CZ B:PHE294 4.8 43.4 1.0 C A:PRO92 4.8 46.2 1.0 CG B:PHE296 4.8 42.6 1.0 H5 B:P6E401 4.9 44.6 1.0 C B:ILE91 4.9 43.5 1.0 HA B:PRO92 4.9 45.8 1.0 HB2 A:GLN94 5.0 48.7 1.0 HA A:PRO92 5.0 46.2 1.0 CA A:PRO92 5.0 46.2 1.0 C A:ALA93 5.0 46.4 1.0

H.Shi, I.A.Ditter, A.C.Oken, S.E.Mansoor. Human P2X4 Receptor Gating Is Modulated By A Stable Cytoplasmic Cap and A Unique Allosteric Pocket. Sci Adv V. 11 R3315 2025.
ISSN: ESSN 2375-2548
PubMed: 39823330
DOI: 10.1126/SCIADV.ADR3315