Chlorine in PDB 9dym: BEST1 + Paba Intermediate State

The structure of BEST1 + Paba Intermediate State also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Chlorine atom in the BEST1 + Paba Intermediate State (pdb code 9dym). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the BEST1 + Paba Intermediate State, PDB code: 9dym:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the BEST1 + Paba Intermediate State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BEST1 + Paba Intermediate State within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:59.5 occ:1.00 OH B:TYR68 3.0 99.9 1.0 OG1 C:THR277 3.4 61.2 1.0 OH B:TYR72 3.4 205.9 1.0 O C:HOH701 3.6 55.0 1.0 CB C:PRO274 3.7 51.8 1.0 CA C:PRO274 3.7 57.1 1.0 CZ B:TYR72 3.8 198.7 1.0 N C:THR277 3.8 58.3 1.0 CZ B:TYR68 3.9 132.8 1.0 CE1 B:TYR72 4.0 192.9 1.0 C C:PRO274 4.0 64.9 1.0 CE2 B:TYR68 4.1 134.7 1.0 N C:PHE276 4.1 59.2 1.0 CB C:PHE276 4.1 78.6 1.0 N C:VAL275 4.3 65.0 1.0 CB C:THR277 4.3 58.8 1.0 CA C:PHE276 4.4 64.0 1.0 CD1 C:PHE276 4.5 119.6 1.0 O C:PRO274 4.5 72.8 1.0 CZ C:PHE257 4.5 89.5 1.0 CE2 B:TYR72 4.6 201.1 1.0 C C:PHE276 4.6 58.2 1.0 CA C:THR277 4.7 51.7 1.0 CG C:PHE276 4.8 106.4 1.0 CD C:ARG255 4.8 59.1 1.0 CD1 B:TYR72 4.9 178.2 1.0

Chlorine binding site 2 out of 2 in the BEST1 + Paba Intermediate State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of BEST1 + Paba Intermediate State within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl602 b:65.1 occ:1.00 CA E:PRO274 3.6 63.9 1.0 OG1 E:THR277 3.6 75.1 1.0 N E:THR277 3.8 79.1 1.0 CB E:PRO274 3.8 62.0 1.0 N E:PHE276 3.8 69.5 1.0 C E:PRO274 3.9 66.9 1.0 CB E:PHE276 3.9 91.7 1.0 OH D:TYR68 4.0 124.1 1.0 N E:VAL275 4.0 68.1 1.0 CZ E:PHE257 4.1 123.5 1.0 CE2 D:TYR68 4.2 144.7 1.0 CA E:PHE276 4.2 74.1 1.0 CD2 E:PHE276 4.2 117.3 1.0 O E:HOH701 4.3 41.3 1.0 CE1 D:TYR72 4.4 228.2 1.0 CB E:THR277 4.4 76.8 1.0 C E:PHE276 4.4 75.2 1.0 CE2 E:PHE257 4.5 111.6 1.0 O E:PRO274 4.5 79.6 1.0 CG E:PHE276 4.6 112.0 1.0 CZ D:TYR68 4.6 143.9 1.0 CA E:THR277 4.7 69.2 1.0 C E:VAL275 4.8 71.9 1.0 OH D:TYR72 4.9 250.8 1.0 CZ D:TYR72 4.9 243.6 1.0 N E:PRO274 5.0 57.4 1.0

A.P.Owji, J.Dong, A.Kittredge, J.Wang, Y.Zhang, T.Yang. Neurotransmitter-Bound Bestrophin Channel Structures Reveal Small Molecule Drug Targeting Sites For Disease Treatment. Nat Commun V. 15 10766 2024.
ISSN: ESSN 2041-1723
PubMed: 39737942
DOI: 10.1038/S41467-024-54938-Z