Calcium in PDB 8sur: TMEM16F Bound with Niclosamide

The binding sites of Calcium atom in the TMEM16F Bound with Niclosamide (pdb code 8sur). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the TMEM16F Bound with Niclosamide, PDB code: 8sur:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the TMEM16F Bound with Niclosamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of TMEM16F Bound with Niclosamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca906 b:154.7 occ:1.00 OE2 A:GLU667 2.2 62.6 1.0 OE2 A:GLU699 2.4 60.4 1.0 OE1 A:GLU667 2.6 62.6 1.0 CD A:GLU667 2.7 62.6 1.0 OE1 A:GLU624 2.8 83.3 1.0 OE2 A:GLU670 2.8 58.6 1.0 OE2 A:GLU624 2.9 83.3 1.0 OD2 A:ASP703 3.0 65.4 1.0 CD A:GLU624 3.2 83.3 1.0 HZ3 A:LYS706 3.2 69.7 1.0 CD A:GLU670 3.5 58.6 1.0 OE1 A:GLU670 3.5 58.6 1.0 CD A:GLU699 3.6 60.4 1.0 OD1 A:ASP703 3.8 65.4 1.0 CG A:ASP703 3.8 65.4 1.0 HG3 A:GLU699 4.0 60.4 1.0 NZ A:LYS706 4.0 69.7 1.0 CG A:GLU667 4.2 62.6 1.0 HZ1 A:LYS706 4.2 69.7 1.0 HE2 A:LYS706 4.3 69.7 1.0 HG13 A:VAL702 4.3 66.9 1.0 CG A:GLU699 4.3 60.4 1.0 HD22 A:ASN620 4.4 76.0 1.0 HA A:GLU667 4.5 62.6 1.0 HG2 A:GLU667 4.5 62.6 1.0 OE1 A:GLU699 4.5 60.4 1.0 HG2 A:GLU699 4.6 60.4 1.0 HZ2 A:LYS706 4.6 69.7 1.0 HG3 A:GLU667 4.7 62.6 1.0 CE A:LYS706 4.7 69.7 1.0 HD3 A:LYS706 4.7 69.7 1.0 CG A:GLU624 4.7 83.3 1.0 CG A:GLU670 4.8 58.6 1.0 HG2 A:GLU670 4.9 58.6 1.0 HE3 A:MET671 4.9 58.3 1.0 ND2 A:ASN620 4.9 76.0 1.0 HB3 A:GLU667 5.0 62.6 1.0

Calcium binding site 2 out of 5 in the TMEM16F Bound with Niclosamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of TMEM16F Bound with Niclosamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca907 b:30.0 occ:1.00 O A:SER854 1.9 65.5 1.0 OD2 A:ASP859 2.4 85.6 1.0 O A:ILE857 2.6 76.8 1.0 C A:SER854 3.0 65.5 1.0 HB A:ILE857 3.1 76.8 1.0 OE1 A:GLU395 3.2 66.3 1.0 HA A:SER854 3.2 65.5 1.0 CG A:ASP859 3.4 85.6 1.0 CA A:SER854 3.6 65.5 1.0 OG A:SER854 3.7 65.5 1.0 C A:ILE857 3.7 76.8 1.0 OD1 A:ASP859 3.8 85.6 1.0 HG21 A:ILE857 3.9 76.8 1.0 CB A:ILE857 3.9 76.8 1.0 H A:ILE857 4.0 76.8 1.0 HA A:TYR855 4.1 69.6 1.0 N A:TYR855 4.2 69.6 1.0 CA A:ILE857 4.2 76.8 1.0 CB A:SER854 4.3 65.5 1.0 N A:ILE857 4.3 76.8 1.0 CD A:GLU395 4.3 66.3 1.0 HG A:SER854 4.4 65.5 1.0 CG2 A:ILE857 4.5 76.8 1.0 CA A:TYR855 4.5 69.6 1.0 H A:ASP859 4.5 85.6 1.0 C A:TYR855 4.6 69.6 1.0 CB A:ASP859 4.6 85.6 1.0 O A:ILE853 4.6 61.7 1.0 O A:TYR855 4.6 69.6 1.0 N A:ASP859 4.6 85.6 1.0 HZ3 A:LYS398 4.7 70.6 1.0 HB2 A:ASP859 4.7 85.6 1.0 HB2 A:SER854 4.8 65.5 1.0 HA A:ASP859 4.8 85.6 1.0 N A:PRO858 4.8 88.5 1.0 HZ1 A:LYS398 4.8 70.6 1.0 C A:PRO858 4.9 88.5 1.0 HA A:PRO858 4.9 88.5 1.0 N A:SER854 4.9 65.5 1.0 H A:TYR855 4.9 69.6 1.0 CA A:ASP859 4.9 85.6 1.0 HG23 A:ILE857 4.9 76.8 1.0 OE2 A:GLU395 5.0 66.3 1.0

Calcium binding site 3 out of 5 in the TMEM16F Bound with Niclosamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of TMEM16F Bound with Niclosamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca902 b:115.6 occ:1.00 OE2 B:GLU624 1.4 44.8 1.0 OE1 B:GLU667 1.8 40.0 1.0 CD B:GLU624 2.4 44.8 1.0 OE2 B:GLU670 2.4 39.8 1.0 OD1 B:ASP703 2.6 38.4 1.0 OE2 B:GLU699 2.7 34.3 1.0 CD B:GLU667 2.7 40.0 1.0 OE2 B:GLU667 3.0 40.0 1.0 OE1 B:GLU624 3.1 44.8 1.0 HG2 B:GLU624 3.3 44.8 1.0 CG B:GLU624 3.3 44.8 1.0 CG B:ASP703 3.5 38.4 1.0 HG3 B:GLU624 3.5 44.8 1.0 OD2 B:ASP703 3.6 38.4 1.0 CD B:GLU670 3.6 39.8 1.0 HG3 B:GLU699 3.7 34.3 1.0 CD B:GLU699 3.7 34.3 1.0 HZ1 B:LYS706 4.0 43.1 1.0 HA B:GLU667 4.0 40.0 1.0 OE1 B:GLU670 4.1 39.8 1.0 CG B:GLU667 4.1 40.0 1.0 CG B:GLU699 4.1 34.3 1.0 HG13 B:VAL702 4.2 36.8 1.0 HD3 B:LYS706 4.2 43.1 1.0 HG2 B:GLU699 4.2 34.3 1.0 HB3 B:GLU667 4.3 40.0 1.0 HZ3 B:LYS706 4.3 43.1 1.0 HG3 B:GLU667 4.4 40.0 1.0 CA B:CA903 4.4 97.3 1.0 HD22 B:ASN620 4.6 38.2 1.0 NZ B:LYS706 4.6 43.1 1.0 CB B:GLU667 4.6 40.0 1.0 CB B:GLU624 4.7 44.8 1.0 HG2 B:GLU670 4.7 39.8 1.0 CA B:GLU667 4.8 40.0 1.0 HG2 B:GLU667 4.8 40.0 1.0 CG B:GLU670 4.8 39.8 1.0 HA B:ASP703 4.8 38.4 1.0 OE1 B:GLU699 4.8 34.3 1.0 HB2 B:GLU624 4.9 44.8 1.0 CB B:ASP703 4.9 38.4 1.0 OD1 B:ASN620 4.9 38.2 1.0 HD2 B:LYS706 4.9 43.1 1.0 CD B:LYS706 5.0 43.1 1.0 HB3 B:GLU624 5.0 44.8 1.0 HH B:TYR299 5.0 39.0 1.0 ND2 B:ASN620 5.0 38.2 1.0

Calcium binding site 4 out of 5 in the TMEM16F Bound with Niclosamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of TMEM16F Bound with Niclosamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca903 b:97.3 occ:1.00 OE1 B:GLU699 2.1 34.3 1.0 OE2 B:GLU699 2.4 34.3 1.0 OE1 B:GLU670 2.4 39.8 1.0 CD B:GLU699 2.5 34.3 1.0 OD1 B:ASN621 2.6 38.1 1.0 HB3 B:ASN620 3.1 38.2 1.0 CD B:GLU670 3.4 39.8 1.0 HD21 B:ASN620 3.4 38.2 1.0 ND2 B:ASN620 3.6 38.2 1.0 OE2 B:GLU670 3.8 39.8 1.0 CG B:ASN621 3.8 38.1 1.0 OE1 B:GLU624 3.8 44.8 1.0 CG B:ASN620 3.9 38.2 1.0 CB B:ASN620 3.9 38.2 1.0 CG B:GLU699 3.9 34.3 1.0 HD22 B:ASN695 3.9 28.6 1.0 HA B:ALA617 3.9 33.0 1.0 OD1 B:ASN695 3.9 28.6 1.0 OE2 B:GLU624 4.0 44.8 1.0 HD22 B:ASN620 4.0 38.2 1.0 HG2 B:GLU699 4.0 34.3 1.0 CD B:GLU624 4.2 44.8 1.0 O B:ALA617 4.2 33.0 1.0 H B:ASN621 4.2 38.1 1.0 HA B:ASN621 4.3 38.1 1.0 HD22 B:ASN621 4.3 38.1 1.0 N B:ASN621 4.3 38.1 1.0 HB2 B:GLU699 4.4 34.3 1.0 CA B:CA902 4.4 115.6 1.0 HG3 B:GLU699 4.5 34.3 1.0 HB2 B:ASN620 4.5 38.2 1.0 ND2 B:ASN621 4.5 38.1 1.0 HE2 B:MET671 4.5 36.4 1.0 OD1 B:ASN620 4.6 38.2 1.0 ND2 B:ASN695 4.6 28.6 1.0 HB2 B:GLU670 4.6 39.8 1.0 C B:ASN620 4.6 38.2 1.0 CG B:ASN695 4.7 28.6 1.0 CA B:ASN621 4.7 38.1 1.0 CG B:GLU670 4.7 39.8 1.0 CB B:GLU699 4.8 34.3 1.0 CA B:ALA617 4.8 33.0 1.0 CB B:ASN621 4.8 38.1 1.0 HG3 B:GLU670 4.8 39.8 1.0 CA B:ASN620 4.9 38.2 1.0 HE1 B:MET671 4.9 36.4 1.0 C B:ALA617 5.0 33.0 1.0 HE3 B:MET671 5.0 36.4 1.0

Calcium binding site 5 out of 5 in the TMEM16F Bound with Niclosamide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of TMEM16F Bound with Niclosamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca904 b:30.0 occ:1.00 OD2 B:ASP859 1.3 60.4 1.0 CG B:ASP859 1.9 60.4 1.0 OD1 B:ASP859 2.1 60.4 1.0 O B:SER854 2.2 44.8 1.0 O B:ILE857 2.8 50.5 1.0 OE2 B:GLU395 3.0 43.5 1.0 HB B:ILE857 3.3 50.5 1.0 CB B:ASP859 3.3 60.4 1.0 C B:SER854 3.3 44.8 1.0 HA B:SER854 3.5 44.8 1.0 HB2 B:ASP859 3.7 60.4 1.0 OG B:SER854 3.7 44.8 1.0 C B:ILE857 3.8 50.5 1.0 HB3 B:ASP859 3.9 60.4 1.0 HA B:ASP859 3.9 60.4 1.0 N B:ASP859 3.9 60.4 1.0 CA B:SER854 3.9 44.8 1.0 H B:ASP859 4.0 60.4 1.0 CA B:ASP859 4.0 60.4 1.0 HZ1 B:LYS398 4.0 46.6 1.0 CD B:GLU395 4.1 43.5 1.0 CB B:ILE857 4.1 50.5 1.0 HZ3 B:LYS398 4.2 46.6 1.0 H B:ILE857 4.3 50.5 1.0 HA B:TYR855 4.3 47.0 1.0 CA B:ILE857 4.3 50.5 1.0 C B:PRO858 4.4 62.6 1.0 HG B:SER854 4.4 44.8 1.0 N B:TYR855 4.4 47.0 1.0 CB B:SER854 4.5 44.8 1.0 HG23 B:ILE857 4.5 50.5 1.0 HG3 B:GLU395 4.5 43.5 1.0 N B:ILE857 4.5 50.5 1.0 NZ B:LYS398 4.5 46.6 1.0 HB3 B:GLU395 4.7 43.5 1.0 N B:PRO858 4.7 62.6 1.0 CA B:TYR855 4.7 47.0 1.0 CG B:GLU395 4.8 43.5 1.0 C B:TYR855 4.8 47.0 1.0 CG2 B:ILE857 4.8 50.5 1.0 O B:PRO858 4.8 62.6 1.0 O B:TYR855 4.9 47.0 1.0 OE1 B:GLU395 4.9 43.5 1.0 HD13 B:ILE857 4.9 50.5 1.0 HE2 B:LYS398 4.9 46.6 1.0 O B:ILE853 4.9 41.6 1.0 CA B:PRO858 5.0 62.6 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