Iodine in PDB 8e5b: Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution

The structure of Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	2 atoms

The binding sites of Iodine atom in the Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution (pdb code 8e5b). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution, PDB code: 8e5b:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I2201 b:66.5 occ:1.00 IBD A:BBI2201 0.0 66.5 1.0 CBC A:BBI2201 2.1 66.5 1.0 CAT A:BBI2201 3.0 66.5 1.0 CBE A:BBI2201 3.1 66.5 1.0 OAU A:BBI2201 3.2 66.5 1.0 O11 A:WG62202 3.7 44.3 1.0 CAW A:BBI2201 4.1 66.5 1.0 CAV A:BBI2201 4.1 66.5 1.0 CG1 A:ILE1456 4.2 12.2 1.0 N09 A:WG62202 4.3 44.3 1.0 CAR A:BBI2201 4.3 66.5 1.0 SD A:MET1144 4.4 23.5 1.0 CAP A:BBI2201 4.4 66.5 1.0 P10 A:WG62202 4.4 44.3 1.0 NAX A:BBI2201 4.6 66.5 1.0 CD1 A:ILE1456 4.6 12.2 1.0 CG2 A:VAL1148 4.6 17.4 1.0 CBA A:BBI2201 4.6 66.5 1.0 O A:MET1144 4.7 23.5 1.0 C36 A:WG62202 4.8 44.3 1.0 CD1 A:PHE1147 4.8 17.6 1.0 O30 A:WG62202 4.8 44.3 1.0 CB A:ALA1452 4.9 17.2 1.0 CAQ A:BBI2201 4.9 66.5 1.0 CB A:MET1144 4.9 23.5 1.0 CG A:MET1144 5.0 23.5 1.0

Iodine binding site 2 out of 2 in the Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human L-Type Voltage-Gated Calcium Channel CAV1.3 in the Presence of Amiodarone and Sofosbuvir at 3.3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I2201 b:66.5 occ:1.00 IAS A:BBI2201 0.0 66.5 1.0 CAR A:BBI2201 2.1 66.5 1.0 CAT A:BBI2201 3.0 66.5 1.0 CAQ A:BBI2201 3.0 66.5 1.0 CAV A:BBI2201 3.1 66.5 1.0 OAU A:BBI2201 3.2 66.5 1.0 CE1 A:PHE1095 3.9 12.0 1.0 CBC A:BBI2201 4.3 66.5 1.0 CAP A:BBI2201 4.3 66.5 1.0 CZ A:PHE1095 4.4 12.0 1.0 CG2 A:THR1099 4.5 12.6 1.0 CE2 A:TYR1448 4.6 15.0 1.0 CAW A:BBI2201 4.6 66.5 1.0 OG A:SER1098 4.6 12.6 1.0 CD2 A:TYR1448 4.6 15.0 1.0 CD1 A:PHE1095 4.7 12.0 1.0 SD A:MET1144 4.8 23.5 1.0 CBE A:BBI2201 4.9 66.5 1.0 CBA A:BBI2201 4.9 66.5 1.0

X.Yao, S.Gao, J.Wang, Z.Li, J.Huang, Y.Wang, Z.Wang, J.Chen, X.Fan, W.Wang, X.Jin, X.Pan, Y.Yu, A.Lagrutta, N.Yan. Structural Basis For the Severe Adverse Interaction of Sofosbuvir and Amiodarone on L-Type Ca V Channels. Cell V. 185 4801 2022.
ISSN: ISSN 1097-4172
PubMed: 36417914
DOI: 10.1016/J.CELL.2022.10.024