Calcium in PDB 5oc9: Crystal Structure of Human TMEM16K / Anoctamin 10

The structure of Crystal Structure of Human TMEM16K / Anoctamin 10, PDB code: 5oc9 was solved by S.R.Bushell, A.C.W.Pike, A.Chu, A.Tessitore, B.Rotty, S.Mukhopadhyay, K.Kupinska, L.Shrestha, O.Borkowska, R.Chalk, N.A.Burgess-Brown, J.Love, A.M.Edwards, C.H.Arrowsmith, C.Bountra, E.P.Carpenter, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	76.79 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.150, 153.590, 218.780, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 24.5

The binding sites of Calcium atom in the Crystal Structure of Human TMEM16K / Anoctamin 10 (pdb code 5oc9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of Human TMEM16K / Anoctamin 10, PDB code: 5oc9:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:36.8 occ:1.00 OD1 A:ASN444 2.3 56.5 1.0 OE1 A:GLU529 2.3 56.9 1.0 OE2 A:GLU500 2.3 60.8 1.0 OE1 A:GLU448 2.6 73.9 1.0 OE2 A:GLU529 2.8 39.1 1.0 OE1 A:GLN445 2.8 75.5 1.0 CD A:GLU529 2.9 54.8 1.0 CD A:GLU500 3.1 68.9 1.0 OE1 A:GLU500 3.2 64.2 1.0 CG A:ASN444 3.5 61.8 1.0 CD A:GLN445 3.5 81.1 1.0 CD A:GLU448 3.7 76.7 1.0 CG A:GLN445 3.8 62.6 1.0 O A:HOH816 4.2 38.7 1.0 N A:GLN445 4.3 46.6 1.0 CB A:ASN444 4.3 44.2 1.0 OE2 A:GLU448 4.3 67.5 1.0 CG A:GLU529 4.4 40.1 1.0 ND2 A:ASN444 4.4 51.8 1.0 CA A:GLN445 4.4 46.1 1.0 CA A:CA702 4.5 45.9 1.0 OD1 A:ASN525 4.5 65.9 1.0 NE2 A:GLN445 4.5 73.6 1.0 CG A:GLU500 4.5 49.5 1.0 C A:ASN444 4.5 49.9 1.0 ND2 A:ASN525 4.6 57.8 1.0 CB A:GLN445 4.7 47.8 1.0 O A:GLN441 4.8 47.2 1.0 CG A:GLU448 4.8 56.5 1.0 CB A:GLU448 4.8 47.1 1.0 O A:ASN444 4.8 49.9 1.0

Calcium binding site 2 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:45.9 occ:1.00 OE2 A:GLU448 2.2 67.5 1.0 OE2 A:GLU529 2.5 39.1 1.0 OD2 A:ASP533 2.6 48.2 1.0 OD1 A:ASP497 2.8 51.5 1.0 OD1 A:ASP533 2.8 44.8 1.0 OE1 A:GLU500 3.0 64.2 1.0 CG A:ASP533 3.0 44.0 1.0 CD A:GLU448 3.2 76.7 1.0 OE1 A:GLU448 3.4 73.9 1.0 OH A:TYR211 3.5 58.2 1.0 CG A:ASP497 3.6 50.2 1.0 CD A:GLU500 3.6 68.9 1.0 CD A:GLU529 3.6 54.8 1.0 CA A:ASP497 3.7 40.2 1.0 CB A:ASP497 3.8 41.8 1.0 NZ A:LYS536 4.0 60.1 1.0 OE2 A:GLU500 4.0 60.8 1.0 CG A:GLU529 4.3 40.1 1.0 O A:ASP497 4.3 40.9 1.0 CA A:CA701 4.5 36.8 1.0 CZ A:TYR211 4.5 56.2 1.0 CB A:ASP533 4.5 35.8 1.0 C A:ASP497 4.5 41.4 1.0 CG A:GLU448 4.5 56.5 1.0 CG A:GLU500 4.6 49.5 1.0 OD2 A:ASP497 4.6 53.9 1.0 OE1 A:GLU529 4.6 56.9 1.0 N A:ASP497 4.6 41.4 1.0 CB A:GLU500 4.9 39.4 1.0 O A:ASP496 5.0 47.2 1.0 CE2 A:TYR211 5.0 48.0 1.0 CE A:LYS536 5.0 53.4 1.0

Calcium binding site 3 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:53.3 occ:1.00 OE1 A:GLU259 2.2 68.8 1.0 OD1 A:ASP615 2.3 48.6 1.0 O A:ILE613 2.4 44.7 1.0 O A:ALA610 2.4 50.1 1.0 CD A:GLU259 3.1 70.3 1.0 CG A:ASP615 3.3 47.9 1.0 OE2 A:GLU259 3.5 62.5 1.0 C A:ALA610 3.6 50.4 1.0 C A:ILE613 3.6 46.0 1.0 OD2 A:ASP615 3.9 50.4 1.0 N A:ASP615 3.9 42.0 1.0 NZ A:LYS262 4.2 68.5 1.0 C A:PRO614 4.3 46.1 1.0 CG A:GLU259 4.4 50.6 1.0 CA A:ASP615 4.4 41.2 1.0 CB A:ASP615 4.4 42.3 1.0 CA A:PRO614 4.4 43.3 1.0 CA A:ALA610 4.5 45.2 1.0 N A:PRO614 4.5 43.6 1.0 N A:PHE611 4.5 48.2 1.0 CA A:ILE613 4.5 42.2 1.0 CA A:PHE611 4.6 49.1 1.0 O A:PHE611 4.7 52.8 1.0 CB A:ILE613 4.7 44.1 1.0 N A:ILE613 4.7 43.7 1.0 C A:PHE611 4.7 52.7 1.0 CB A:ALA610 5.0 45.5 1.0

Calcium binding site 4 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:46.9 occ:1.00 OE1 B:GLU529 2.3 68.3 1.0 OE1 B:GLN445 2.5 81.6 1.0 OD1 B:ASN444 2.5 60.8 1.0 OE2 B:GLU529 2.6 73.8 1.0 OE2 B:GLU500 2.6 56.3 1.0 OE1 B:GLU448 2.7 67.0 1.0 CD B:GLU529 2.7 77.1 1.0 O B:HOH821 2.8 36.9 1.0 OE1 B:GLU500 3.2 57.5 1.0 CD B:GLN445 3.2 87.4 1.0 CD B:GLU500 3.3 64.3 1.0 CD B:GLU448 3.6 71.5 1.0 CG B:ASN444 3.7 67.1 1.0 CG B:GLN445 3.7 69.1 1.0 OE2 B:GLU448 4.1 53.9 1.0 NE2 B:GLN445 4.2 79.8 1.0 CG B:GLU529 4.3 55.4 1.0 CA B:GLN445 4.3 50.2 1.0 CA B:CA702 4.3 41.4 1.0 N B:GLN445 4.3 50.6 1.0 C B:ASN444 4.6 54.1 1.0 CB B:GLU448 4.6 49.3 1.0 CB B:ASN444 4.6 49.6 1.0 CB B:GLN445 4.6 52.1 1.0 ND2 B:ASN444 4.6 56.9 1.0 CG B:GLU448 4.6 57.6 1.0 OG B:SER532 4.7 52.0 1.0 OD1 B:ASN525 4.7 49.4 1.0 CG B:GLU500 4.7 46.1 1.0 O B:ASN444 4.7 54.2 1.0 ND2 B:ASN525 4.8 43.7 1.0

Calcium binding site 5 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:41.4 occ:1.00 OE2 B:GLU529 2.3 73.8 1.0 OE2 B:GLU448 2.5 53.9 1.0 OD2 B:ASP533 2.7 51.5 1.0 OD1 B:ASP533 2.8 47.2 1.0 OD1 B:ASP497 2.9 54.5 1.0 CG B:ASP533 3.1 46.1 1.0 OE1 B:GLU500 3.1 57.5 1.0 OH B:TYR211 3.3 42.8 1.0 CD B:GLU448 3.4 71.5 1.0 CD B:GLU529 3.5 77.1 1.0 OE1 B:GLU448 3.5 67.0 1.0 CD B:GLU500 3.6 64.3 1.0 CA B:ASP497 3.6 40.8 1.0 CG B:ASP497 3.7 52.8 1.0 CB B:ASP497 3.8 42.5 1.0 OE2 B:GLU500 3.9 56.3 1.0 CG B:GLU529 4.1 55.4 1.0 O B:ASP497 4.1 42.8 1.0 CA B:CA701 4.3 46.9 1.0 CZ B:TYR211 4.3 40.5 1.0 NZ B:LYS536 4.4 48.9 1.0 C B:ASP497 4.4 43.2 1.0 CG B:GLU500 4.5 46.1 1.0 OE1 B:GLU529 4.5 68.3 1.0 CB B:ASP533 4.6 37.0 1.0 N B:ASP497 4.7 41.8 1.0 CB B:GLU500 4.8 37.3 1.0 OD2 B:ASP497 4.8 57.6 1.0 CG B:GLU448 4.8 57.6 1.0 CE2 B:TYR211 4.9 33.4 1.0 O B:ASP496 5.0 46.2 1.0

Calcium binding site 6 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca703 b:33.2 occ:1.00 OE1 B:GLU259 2.2 73.5 1.0 OD1 B:ASP615 2.3 53.4 1.0 O B:ILE613 2.4 49.5 1.0 O B:ALA610 2.4 47.2 1.0 O B:HOH805 2.4 25.1 1.0 CD B:GLU259 3.1 72.5 1.0 CG B:ASP615 3.3 53.4 1.0 OE2 B:GLU259 3.5 60.6 1.0 C B:ALA610 3.6 47.4 1.0 C B:ILE613 3.6 50.2 1.0 OD2 B:ASP615 3.9 59.8 1.0 N B:ASP615 3.9 45.1 1.0 NZ B:LYS262 4.2 68.6 1.0 C B:PRO614 4.3 49.3 1.0 CG B:GLU259 4.4 52.0 1.0 CA B:ASP615 4.4 44.2 1.0 CB B:ASP615 4.4 45.5 1.0 CA B:PRO614 4.4 45.9 1.0 CA B:ALA610 4.5 41.1 1.0 N B:PRO614 4.5 46.2 1.0 N B:PHE611 4.5 46.1 1.0 CA B:ILE613 4.5 47.0 1.0 CA B:PHE611 4.6 47.2 1.0 O B:PHE611 4.7 52.1 1.0 CB B:ILE613 4.7 49.7 1.0 N B:ILE613 4.7 47.4 1.0 C B:PHE611 4.7 51.6 1.0 CB B:ALA610 5.0 41.4 1.0

Calcium binding site 7 out of 7 in the Crystal Structure of Human TMEM16K / Anoctamin 10


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Human TMEM16K / Anoctamin 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca704 b:43.2 occ:1.00 N A:ALA589 3.8 60.5 1.0 N B:ALA589 3.9 54.8 1.0 CB A:ALA589 3.9 61.4 1.0 O B:GLU586 3.9 60.6 1.0 N B:LYS588 4.0 54.1 1.0 CB B:LYS588 4.1 54.5 1.0 N A:LYS588 4.2 65.6 1.0 CB B:ALA589 4.2 56.1 1.0 O A:GLU586 4.2 79.5 1.0 CA B:LYS588 4.4 52.6 1.0 CA A:ALA589 4.4 59.3 1.0 CB A:LYS588 4.5 65.8 1.0 C B:LYS588 4.5 57.0 1.0 CA B:ALA589 4.6 54.3 1.0 C A:LYS588 4.6 64.4 1.0 CA A:LYS588 4.6 63.1 1.0 CG B:LYS588 4.9 61.9 1.0 C B:SER587 5.0 58.4 1.0

S.R.Bushell, A.C.W.Pike, M.E.Falzone, N.J.G.Rorsman, C.M.Ta, R.A.Corey, T.D.Newport, J.C.Christianson, L.F.Scofano, C.A.Shintre, A.Tessitore, A.Chu, Q.Wang, L.Shrestha, S.M.M.Mukhopadhyay, J.D.Love, N.A.Burgess-Brown, R.Sitsapesan, P.J.Stansfeld, J.T.Huiskonen, P.Tammaro, A.Accardi, E.P.Carpenter. The Structural Basis of Lipid Scrambling and Inactivation in the Endoplasmic Reticulum Scramblase TMEM16K. Nat Commun V. 10 3956 2019.
ISSN: ESSN 2041-1723
PubMed: 31477691
DOI: 10.1038/S41467-019-11753-1