Calcium in PDB 8xlr: Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin

The binding sites of Calcium atom in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin (pdb code 8xlr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin, PDB code: 8xlr:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1029 b:20.6 occ:1.00 OE1 A:GLU702 3.1 19.5 1.0 OD2 A:ASP738 3.1 15.0 1.0 OE1 A:GLU705 3.2 26.8 1.0 OE1 A:GLU734 3.2 25.8 1.0 OD1 A:ASP738 3.3 13.3 1.0 OE1 A:GLU654 3.5 36.7 1.0 CG A:ASP738 3.6 7.6 1.0 OE2 A:GLU654 3.8 38.6 1.0 CD A:GLU734 4.0 19.1 1.0 CD A:GLU654 4.0 41.1 1.0 OE2 A:GLU734 4.1 13.8 1.0 CD A:GLU705 4.3 25.0 1.0 CD A:GLU702 4.3 16.0 1.0 CA A:CA1030 4.4 25.5 1.0 OH A:TYR331 4.6 6.3 1.0 OE2 A:GLU705 4.8 24.3 1.0 CA A:GLU702 4.8 0.7 1.0 CB A:GLU702 4.9 0.0 1.0 NZ A:LYS741 4.9 17.4 1.0

Calcium binding site 2 out of 4 in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1030 b:25.5 occ:1.00 OE2 A:GLU734 2.4 13.8 1.0 OE2 A:GLU654 2.4 38.6 1.0 OE2 A:GLU705 2.4 24.3 1.0 OD1 A:ASN651 2.9 40.7 1.0 CD A:GLU705 3.3 25.0 1.0 CD A:GLU734 3.5 19.1 1.0 OE1 A:GLU705 3.5 26.8 1.0 CD A:GLU654 3.6 41.1 1.0 CG A:ASN650 3.9 43.4 1.0 OD1 A:ASN650 4.1 47.1 1.0 OE1 A:GLU734 4.1 25.8 1.0 CG A:ASN651 4.1 41.0 1.0 CB A:ASN650 4.1 37.2 1.0 ND2 A:ASN650 4.2 42.2 1.0 OE1 A:GLU654 4.3 36.7 1.0 CA A:CA1029 4.4 20.6 1.0 N A:ASN651 4.5 38.5 1.0 CG A:GLU734 4.6 8.5 1.0 C A:ASN650 4.6 43.7 1.0 CG A:GLU654 4.6 41.9 1.0 CG A:GLU705 4.7 15.5 1.0 CA A:ASN651 4.8 28.4 1.0 CD2 A:LEU737 4.8 10.2 1.0 O A:ASN650 4.8 43.6 1.0 O A:GLN646 4.9 44.2 1.0 ND2 A:ASN651 5.0 38.0 1.0

Calcium binding site 3 out of 4 in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1032 b:20.6 occ:1.00 OE1 B:GLU702 3.1 19.5 1.0 OD2 B:ASP738 3.1 15.0 1.0 OE1 B:GLU705 3.2 26.8 1.0 OE1 B:GLU734 3.2 25.8 1.0 OD1 B:ASP738 3.3 13.3 1.0 OE1 B:GLU654 3.5 36.7 1.0 CG B:ASP738 3.6 7.6 1.0 OE2 B:GLU654 3.8 38.6 1.0 CD B:GLU734 4.0 19.1 1.0 CD B:GLU654 4.0 41.1 1.0 OE2 B:GLU734 4.1 13.8 1.0 CD B:GLU705 4.3 25.0 1.0 CD B:GLU702 4.3 16.0 1.0 CA B:CA1033 4.4 25.5 1.0 OH B:TYR331 4.6 6.3 1.0 OE2 B:GLU705 4.8 24.3 1.0 CA B:GLU702 4.8 0.7 1.0 CB B:GLU702 4.9 0.0 1.0 NZ B:LYS741 4.9 17.4 1.0

Calcium binding site 4 out of 4 in the Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Cryo-Em Structure of CA2+-Bound TMEM16A in Complex with Tamsulosin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1033 b:25.5 occ:1.00 OE2 B:GLU734 2.4 13.8 1.0 OE2 B:GLU654 2.4 38.6 1.0 OE2 B:GLU705 2.4 24.3 1.0 OD1 B:ASN651 2.9 40.7 1.0 CD B:GLU705 3.3 25.0 1.0 CD B:GLU734 3.5 19.1 1.0 OE1 B:GLU705 3.5 26.8 1.0 CD B:GLU654 3.6 41.1 1.0 CG B:ASN650 3.9 43.4 1.0 OD1 B:ASN650 4.1 47.1 1.0 OE1 B:GLU734 4.1 25.8 1.0 CB B:ASN650 4.1 37.2 1.0 CG B:ASN651 4.1 41.0 1.0 ND2 B:ASN650 4.2 42.2 1.0 OE1 B:GLU654 4.3 36.7 1.0 CA B:CA1032 4.4 20.6 1.0 N B:ASN651 4.5 38.5 1.0 CG B:GLU734 4.6 8.5 1.0 C B:ASN650 4.6 43.7 1.0 CG B:GLU654 4.6 41.9 1.0 CG B:GLU705 4.7 15.5 1.0 CA B:ASN651 4.8 28.4 1.0 CD2 B:LEU737 4.8 10.2 1.0 O B:ASN650 4.8 43.6 1.0 O B:GLN646 4.9 44.2 1.0 ND2 B:ASN651 5.0 38.0 1.0

H.L.Li, S.L.Li, S.Li. Tamsulosin Inhibits the Release of Chloride Ion Through Wedging Into A Novel Allosteric Site of TMEM16A To Be Published.