Fluorine in PDB 8tz6: Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206

The structure of Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206 (pdb code 8tz6). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206, PDB code: 8tz6:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:41.8 occ:1.00 F18 A:U7I801 0.0 41.8 1.0 C02 A:U7I801 1.5 41.8 1.0 H171 A:U7I801 1.9 41.8 1.0 C03 A:U7I801 2.2 41.8 1.0 O17 A:U7I801 2.4 41.8 1.0 C01 A:U7I801 2.5 41.8 1.0 C06 A:U7I801 2.5 41.8 1.0 H061 A:U7I801 2.5 41.8 1.0 H041 A:U7I801 2.7 41.8 1.0 H011 A:U7I801 2.7 41.8 1.0 H012 A:U7I801 2.7 41.8 1.0 C04 A:U7I801 2.9 41.8 1.0 H031 A:U7I801 3.2 41.8 1.0 HG A:SER574 3.2 44.7 1.0 O05 A:U7I801 3.2 41.8 1.0 OG A:SER574 3.2 44.7 1.0 H013 A:U7I801 3.4 41.8 1.0 N07 A:U7I801 3.6 41.8 1.0 O A:HOH901 3.8 40.6 1.0 O14 A:U7I801 4.0 41.8 1.0 C13 A:U7I801 4.2 41.8 1.0 C15 A:U7I801 4.2 41.8 1.0 OD1 A:ASN571 4.3 43.0 1.0 H152 A:U7I801 4.4 41.8 1.0 CB A:SER574 4.6 44.7 1.0 HG12 A:ILE577 4.6 46.6 1.0 HA A:SER574 4.6 44.7 1.0 HE21 A:GLN347 4.6 45.0 1.0 C08 A:U7I801 4.7 41.8 1.0 HD11 A:ILE577 4.7 46.6 1.0 H081 A:U7I801 4.8 41.8 1.0 HD22 A:ASN571 4.8 43.0 1.0 HB3 A:SER574 4.8 44.7 1.0 HE22 A:GLN347 4.9 45.0 1.0 H151 A:U7I801 4.9 41.8 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:42.3 occ:1.00 F18 B:U7I801 0.0 42.3 1.0 C02 B:U7I801 1.5 42.3 1.0 H171 B:U7I801 1.9 42.3 1.0 C03 B:U7I801 2.2 42.3 1.0 O17 B:U7I801 2.4 42.3 1.0 C01 B:U7I801 2.5 42.3 1.0 C06 B:U7I801 2.5 42.3 1.0 H061 B:U7I801 2.5 42.3 1.0 H041 B:U7I801 2.7 42.3 1.0 H011 B:U7I801 2.7 42.3 1.0 H012 B:U7I801 2.7 42.3 1.0 C04 B:U7I801 2.9 42.3 1.0 H031 B:U7I801 3.2 42.3 1.0 HG B:SER574 3.2 44.7 1.0 O05 B:U7I801 3.2 42.3 1.0 OG B:SER574 3.2 44.7 1.0 H013 B:U7I801 3.4 42.3 1.0 N07 B:U7I801 3.6 42.3 1.0 O B:HOH901 3.8 38.6 1.0 O14 B:U7I801 4.0 42.3 1.0 C13 B:U7I801 4.2 42.3 1.0 C15 B:U7I801 4.2 42.3 1.0 OD1 B:ASN571 4.3 42.7 1.0 H152 B:U7I801 4.4 42.3 1.0 CB B:SER574 4.6 44.7 1.0 HG12 B:ILE577 4.6 46.5 1.0 HA B:SER574 4.6 44.7 1.0 HE21 B:GLN347 4.6 44.4 1.0 C08 B:U7I801 4.7 42.3 1.0 HD11 B:ILE577 4.7 46.5 1.0 H081 B:U7I801 4.8 42.3 1.0 HD22 B:ASN571 4.8 42.7 1.0 HB3 B:SER574 4.8 44.7 1.0 HE22 B:GLN347 4.9 44.4 1.0 H151 B:U7I801 4.9 42.3 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Bovine Concentrative Nucleoside Transporter 3 in Complex with Psi-6206 within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:42.2 occ:1.00 F18 C:U7I801 0.0 42.2 1.0 C02 C:U7I801 1.5 42.2 1.0 H171 C:U7I801 1.9 42.2 1.0 C03 C:U7I801 2.2 42.2 1.0 O17 C:U7I801 2.4 42.2 1.0 C01 C:U7I801 2.5 42.2 1.0 C06 C:U7I801 2.5 42.2 1.0 H061 C:U7I801 2.5 42.2 1.0 H041 C:U7I801 2.7 42.2 1.0 H011 C:U7I801 2.7 42.2 1.0 H012 C:U7I801 2.7 42.2 1.0 C04 C:U7I801 2.9 42.2 1.0 H031 C:U7I801 3.2 42.2 1.0 HG C:SER574 3.2 45.0 1.0 O05 C:U7I801 3.2 42.2 1.0 OG C:SER574 3.2 45.0 1.0 H013 C:U7I801 3.4 42.2 1.0 N07 C:U7I801 3.6 42.2 1.0 O C:HOH901 3.8 39.5 1.0 O14 C:U7I801 4.0 42.2 1.0 C13 C:U7I801 4.2 42.2 1.0 C15 C:U7I801 4.2 42.2 1.0 OD1 C:ASN571 4.3 42.8 1.0 H152 C:U7I801 4.4 42.2 1.0 CB C:SER574 4.6 45.0 1.0 HG12 C:ILE577 4.6 46.9 1.0 HA C:SER574 4.6 45.0 1.0 HE21 C:GLN347 4.6 44.5 1.0 C08 C:U7I801 4.7 42.2 1.0 HD11 C:ILE577 4.7 46.9 1.0 H081 C:U7I801 4.8 42.2 1.0 HD22 C:ASN571 4.8 42.8 1.0 HB3 C:SER574 4.8 45.0 1.0 HE22 C:GLN347 4.9 44.5 1.0 H151 C:U7I801 4.9 42.2 1.0

N.J.Wright, F.Zhang, Y.Suo, L.Kong, Y.Yin, J.G.Fedor, K.Sharma, M.J.Borgnia, W.Im, S.Y.Lee. Antiviral Drug Recognition and Elevator-Type Transport Motions of CNT3. Nat.Chem.Biol. 2024.
ISSN: ESSN 1552-4469
PubMed: 38418906
DOI: 10.1038/S41589-024-01559-8