Calcium in PDB 8sun: TMEM16F 1PBC

The structure of TMEM16F 1PBC also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Calcium atom in the TMEM16F 1PBC (pdb code 8sun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the TMEM16F 1PBC, PDB code: 8sun:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca904 b:241.0 occ:1.00 OE1 A:GLU667 1.1 90.3 1.0 CD A:GLU667 1.2 90.3 1.0 OE2 A:GLU667 1.4 90.3 1.0 OE2 A:GLU699 2.6 89.4 1.0 OD2 A:ASP703 2.7 100.6 1.0 CG A:GLU667 2.7 90.3 1.0 OD1 A:ASP703 2.9 100.6 1.0 CG A:ASP703 3.1 100.6 1.0 HG3 A:GLU667 3.1 90.3 1.0 HZ2 A:LYS706 3.2 108.6 1.0 HG2 A:GLU667 3.2 90.3 1.0 HA A:GLU667 3.3 90.3 1.0 HB3 A:GLU667 3.5 90.3 1.0 CB A:GLU667 3.6 90.3 1.0 CD A:GLU699 3.6 89.4 1.0 HG3 A:GLU699 3.8 89.4 1.0 HH A:TYR299 3.9 92.2 1.0 OE2 A:GLU670 3.9 82.9 1.0 NZ A:LYS706 3.9 108.6 1.0 CA A:GLU667 4.0 90.3 1.0 HZ3 A:LYS706 4.0 108.6 1.0 OH A:TYR299 4.1 92.2 1.0 CG A:GLU699 4.2 89.4 1.0 HG2 A:GLU699 4.2 89.4 1.0 CD A:GLU670 4.4 82.9 1.0 HB2 A:GLU667 4.4 90.3 1.0 CB A:ASP703 4.5 100.6 1.0 OE1 A:GLU670 4.5 82.9 1.0 HE2 A:LYS706 4.5 108.6 1.0 HZ1 A:LYS706 4.5 108.6 1.0 HE3 A:MET671 4.5 81.1 1.0 HB3 A:ASP703 4.5 100.6 1.0 OE1 A:GLU699 4.6 89.4 1.0 HD3 A:LYS706 4.7 108.6 1.0 CE A:LYS706 4.8 108.6 1.0 HB2 A:GLU670 4.8 82.9 1.0 N A:GLU667 4.9 90.3 1.0 HA A:ASP703 4.9 100.6 1.0

Calcium binding site 2 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca904 b:197.1 occ:1.00 OD1 B:ASP703 2.1 50.1 1.0 OE1 B:GLU667 2.2 50.4 1.0 OE2 B:GLU670 2.4 47.4 1.0 OD2 B:ASP703 2.5 50.1 1.0 CG B:ASP703 2.6 50.1 1.0 OE1 B:GLU624 2.6 59.9 1.0 OE2 B:GLU624 2.7 59.9 1.0 OE2 B:GLU699 2.8 48.1 1.0 CD B:GLU624 3.0 59.9 1.0 HG3 B:GLU699 3.1 48.1 1.0 CD B:GLU667 3.5 50.4 1.0 CD B:GLU670 3.6 47.4 1.0 CD B:GLU699 3.6 48.1 1.0 CG B:GLU699 3.7 48.1 1.0 HG2 B:GLU699 3.8 48.1 1.0 HH B:TYR299 3.8 49.3 1.0 HB3 B:GLU667 3.9 50.4 1.0 HA B:GLU667 4.0 50.4 1.0 OH B:TYR299 4.1 49.3 1.0 CB B:ASP703 4.1 50.1 1.0 OE1 B:GLU670 4.2 47.4 1.0 CA B:CA905 4.2 208.1 1.0 HG13 B:VAL702 4.3 52.2 1.0 OE2 B:GLU667 4.3 50.4 1.0 HD3 B:LYS706 4.3 56.6 1.0 CG B:GLU667 4.3 50.4 1.0 HG3 B:GLU667 4.3 50.4 1.0 HA B:ASP703 4.5 50.1 1.0 CB B:GLU667 4.5 50.4 1.0 HB2 B:ASP703 4.5 50.1 1.0 HZ2 B:LYS706 4.5 56.6 1.0 CG B:GLU624 4.6 59.9 1.0 HB3 B:ASP703 4.6 50.1 1.0 HG2 B:GLU670 4.6 47.4 1.0 CG B:GLU670 4.7 47.4 1.0 CA B:GLU667 4.7 50.4 1.0 H B:ASP703 4.8 50.1 1.0 CA B:ASP703 4.8 50.1 1.0 OE1 B:GLU699 4.8 48.1 1.0 HG3 B:GLU670 4.9 47.4 1.0 HG2 B:GLU624 4.9 59.9 1.0 N B:ASP703 4.9 50.1 1.0 O B:GLU699 5.0 48.1 1.0 HG3 B:GLU624 5.0 59.9 1.0

Calcium binding site 3 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca905 b:208.1 occ:1.00 OE2 B:GLU699 1.5 48.1 1.0 OE1 B:GLU699 1.8 48.1 1.0 CD B:GLU699 1.8 48.1 1.0 HD22 B:ASN621 2.0 56.5 1.0 HD21 B:ASN621 2.2 56.5 1.0 ND2 B:ASN621 2.4 56.5 1.0 OE1 B:GLU670 2.8 47.4 1.0 OE2 B:GLU624 3.2 59.9 1.0 CG B:GLU699 3.3 48.1 1.0 HB3 B:ASN620 3.5 57.5 1.0 CD B:GLU670 3.6 47.4 1.0 HG2 B:GLU699 3.7 48.1 1.0 ND2 B:ASN620 3.7 57.5 1.0 CG B:ASN621 3.7 56.5 1.0 HG3 B:GLU699 3.7 48.1 1.0 HD21 B:ASN620 3.8 57.5 1.0 CG B:ASN620 3.8 57.5 1.0 OE2 B:GLU670 3.8 47.4 1.0 HD22 B:ASN620 3.9 57.5 1.0 HA B:ASN621 4.0 56.5 1.0 HB2 B:GLU699 4.0 48.1 1.0 OD1 B:ASN695 4.1 45.5 1.0 CB B:ASN620 4.1 57.5 1.0 OD1 B:ASN620 4.2 57.5 1.0 CA B:CA904 4.2 197.1 1.0 CB B:GLU699 4.2 48.1 1.0 N B:ASN621 4.3 56.5 1.0 CD B:GLU624 4.3 59.9 1.0 HE1 B:MET671 4.3 44.3 1.0 HA B:GLU699 4.4 48.1 1.0 H B:ASN621 4.4 56.5 1.0 OD1 B:ASN621 4.4 56.5 1.0 HD22 B:ASN695 4.4 45.5 1.0 CA B:ASN621 4.5 56.5 1.0 C B:ASN620 4.5 57.5 1.0 HA B:ALA617 4.6 51.0 1.0 O B:ALA617 4.7 51.0 1.0 CB B:ASN621 4.7 56.5 1.0 HB2 B:ASN620 4.8 57.5 1.0 HE3 B:MET671 4.8 44.3 1.0 HG3 B:GLU624 4.9 59.9 1.0 CA B:GLU699 4.9 48.1 1.0 O B:ASN620 4.9 57.5 1.0 CG B:GLU670 4.9 47.4 1.0 CG B:ASN695 5.0 45.5 1.0

S.Feng, C.Puchades, J.Ko, H.Wu, Y.Chen, E.E.Figueroa, S.Gu, T.W.Han, B.Ho, T.Cheng, J.Li, B.Shoichet, Y.N.Jan, Y.Cheng, L.Y.Jan. Identification of A Drug Binding Pocket in TMEM16F Calcium-Activated Ion Channel and Lipid Scramblase. Nat Commun V. 14 4874 2023.
ISSN: ESSN 2041-1723
PubMed: 37573365
DOI: 10.1038/S41467-023-40410-X