Calcium in PDB 6r65: Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)

The structure of Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2), PDB code: 6r65 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)	39.69 / 3.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	113.158, 152.267, 153.703, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 24.9

The binding sites of Calcium atom in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2) (pdb code 6r65). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2), PDB code: 6r65:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:92.2 occ:1.00 OD1 A:ASN444 2.2 85.5 1.0 OE1 A:GLU529 2.3 96.7 1.0 OE2 A:GLU500 2.4 99.6 1.0 OE2 A:GLU529 2.7 93.9 1.0 OE1 A:GLN445 2.8 82.1 1.0 CD A:GLU529 2.9 0.4 1.0 OE1 A:GLU448 2.9 0.2 1.0 CD A:GLU500 3.1 0.1 1.0 OE1 A:GLU500 3.2 95.0 1.0 CG A:ASN444 3.4 93.7 1.0 CD A:GLN445 3.5 91.2 1.0 CD A:GLU448 3.8 1.0 1.0 CG A:GLN445 3.8 83.7 1.0 OE2 A:GLU448 4.3 0.3 1.0 N A:GLN445 4.3 73.0 1.0 CB A:ASN444 4.3 71.5 1.0 ND2 A:ASN444 4.4 86.6 1.0 CG A:GLU529 4.4 88.0 1.0 CA A:GLN445 4.4 72.6 1.0 CA A:CA702 4.4 75.6 1.0 NE2 A:GLN445 4.5 80.8 1.0 OD1 A:ASN525 4.5 0.5 1.0 C A:ASN444 4.5 75.3 1.0 CG A:GLU500 4.6 82.8 1.0 ND2 A:ASN525 4.6 99.4 1.0 CB A:GLN445 4.7 75.5 1.0 CB A:GLU448 4.8 74.3 1.0 CG A:GLU448 4.8 83.9 1.0 O A:GLN441 4.8 78.8 1.0 O A:ASN444 4.8 73.8 1.0 OG A:SER532 5.0 90.8 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:75.6 occ:1.00 OE2 A:GLU448 2.3 0.3 1.0 OE2 A:GLU529 2.5 93.9 1.0 OD2 A:ASP533 2.6 90.0 1.0 OD1 A:ASP497 2.8 82.7 1.0 OD1 A:ASP533 2.8 86.4 1.0 OE1 A:GLU500 3.0 95.0 1.0 CG A:ASP533 3.0 84.9 1.0 CD A:GLU448 3.2 1.0 1.0 OE1 A:GLU448 3.5 0.2 1.0 OH A:TYR211 3.5 85.4 1.0 CG A:ASP497 3.5 81.4 1.0 CD A:GLU500 3.6 0.1 1.0 CD A:GLU529 3.6 0.4 1.0 CA A:ASP497 3.6 71.5 1.0 CB A:ASP497 3.8 72.7 1.0 OE2 A:GLU500 4.0 99.6 1.0 NZ A:LYS536 4.1 97.5 1.0 CG A:GLU529 4.2 88.0 1.0 O A:ASP497 4.3 75.0 1.0 CA A:CA701 4.4 92.2 1.0 CZ A:TYR211 4.5 83.3 1.0 C A:ASP497 4.5 74.6 1.0 CB A:ASP533 4.5 73.9 1.0 CG A:GLU500 4.5 82.8 1.0 OD2 A:ASP497 4.6 86.2 1.0 CG A:GLU448 4.6 83.9 1.0 OE1 A:GLU529 4.6 96.7 1.0 N A:ASP497 4.6 71.7 1.0 CB A:GLU500 4.9 72.8 1.0 CE2 A:TYR211 4.9 75.5 1.0 O A:ASP496 5.0 77.5 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:84.8 occ:1.00 OE1 A:GLU259 2.2 0.2 1.0 OD1 A:ASP615 2.2 97.2 1.0 O A:ILE613 2.4 87.0 1.0 O A:ALA610 2.4 86.4 1.0 CD A:GLU259 3.2 0.6 1.0 CG A:ASP615 3.3 95.5 1.0 OE2 A:GLU259 3.5 97.5 1.0 C A:ALA610 3.6 87.6 1.0 C A:ILE613 3.6 88.9 1.0 N A:ASP615 3.8 82.9 1.0 OD2 A:ASP615 3.9 0.5 1.0 C A:PRO614 4.2 87.5 1.0 NZ A:LYS262 4.3 1.0 1.0 CA A:ASP615 4.3 81.2 1.0 CB A:ASP615 4.4 82.0 1.0 CA A:PRO614 4.4 84.8 1.0 CG A:GLU259 4.4 89.1 1.0 N A:PRO614 4.5 86.0 1.0 N A:PHE611 4.5 85.6 1.0 CA A:ALA610 4.5 83.1 1.0 CA A:PHE611 4.5 86.0 1.0 O A:PHE611 4.5 89.8 1.0 CA A:ILE613 4.6 86.2 1.0 C A:PHE611 4.7 90.4 1.0 N A:ILE613 4.7 87.1 1.0 CB A:ILE613 4.8 88.4 1.0 O A:PRO614 5.0 87.4 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:86.0 occ:1.00 OE1 B:GLU529 2.3 84.1 1.0 OD1 B:ASN444 2.4 78.1 1.0 OE1 B:GLN445 2.5 0.4 1.0 OE2 B:GLU500 2.6 98.3 1.0 OE2 B:GLU529 2.6 84.3 1.0 OE1 B:GLU448 2.7 77.0 1.0 CD B:GLU529 2.8 91.5 1.0 CD B:GLN445 3.2 0.8 1.0 OE1 B:GLU500 3.3 95.0 1.0 CD B:GLU500 3.3 0.9 1.0 CG B:ASN444 3.6 86.2 1.0 CD B:GLU448 3.6 89.9 1.0 CG B:GLN445 3.7 87.0 1.0 OE2 B:GLU448 4.2 81.5 1.0 NE2 B:GLN445 4.2 1.0 1.0 CA B:GLN445 4.3 67.5 1.0 N B:GLN445 4.3 67.2 1.0 CG B:GLU529 4.3 76.6 1.0 CA B:CA702 4.3 78.8 1.0 CB B:ASN444 4.5 66.1 1.0 ND2 B:ASN444 4.5 79.2 1.0 C B:ASN444 4.5 70.3 1.0 CB B:GLN445 4.6 69.8 1.0 OD1 B:ASN525 4.6 87.9 1.0 CB B:GLU448 4.6 72.0 1.0 CG B:GLU448 4.6 78.5 1.0 OG B:SER532 4.7 83.3 1.0 ND2 B:ASN525 4.7 79.7 1.0 CG B:GLU500 4.8 76.3 1.0 O B:ASN444 4.8 69.6 1.0 O B:GLN441 4.9 71.6 1.0

Calcium binding site 5 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:78.8 occ:1.00 OE2 B:GLU529 2.4 84.3 1.0 OE2 B:GLU448 2.5 81.5 1.0 OD2 B:ASP533 2.7 85.5 1.0 OD1 B:ASP533 2.8 77.8 1.0 OD1 B:ASP497 2.9 81.5 1.0 OE1 B:GLU500 3.0 95.0 1.0 CG B:ASP533 3.1 78.1 1.0 OH B:TYR211 3.3 75.5 1.0 CD B:GLU448 3.4 89.9 1.0 CD B:GLU529 3.5 91.5 1.0 CD B:GLU500 3.5 0.9 1.0 OE1 B:GLU448 3.5 77.0 1.0 CA B:ASP497 3.6 71.4 1.0 CG B:ASP497 3.7 80.9 1.0 CB B:ASP497 3.8 73.3 1.0 OE2 B:GLU500 3.9 98.3 1.0 CG B:GLU529 4.1 76.6 1.0 O B:ASP497 4.1 73.7 1.0 CZ B:TYR211 4.3 74.6 1.0 CA B:CA701 4.3 86.0 1.0 NZ B:LYS536 4.4 83.6 1.0 C B:ASP497 4.4 73.7 1.0 CG B:GLU500 4.4 76.3 1.0 OE1 B:GLU529 4.5 84.1 1.0 CB B:ASP533 4.6 68.3 1.0 N B:ASP497 4.6 71.8 1.0 CB B:GLU500 4.7 65.0 1.0 OD2 B:ASP497 4.7 85.6 1.0 CG B:GLU448 4.8 78.5 1.0 CE2 B:TYR211 4.9 67.7 1.0 O B:ASP496 4.9 76.5 1.0

Calcium binding site 6 out of 6 in the Crystal Structure of Human TMEM16K / Anoctamin 10 (Form 2)


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 (Form 2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca703 b:65.2 occ:1.00 OE1 B:GLU259 2.2 0.4 1.0 OD1 B:ASP615 2.2 93.0 1.0 O B:ILE613 2.4 83.0 1.0 O B:ALA610 2.4 81.7 1.0 CD B:GLU259 3.2 0.0 1.0 CG B:ASP615 3.3 92.4 1.0 OE2 B:GLU259 3.5 0.8 1.0 C B:ALA610 3.6 82.2 1.0 C B:ILE613 3.6 84.3 1.0 N B:ASP615 3.8 80.4 1.0 OD2 B:ASP615 3.9 99.7 1.0 C B:PRO614 4.2 84.2 1.0 NZ B:LYS262 4.3 0.4 1.0 CA B:ASP615 4.3 79.3 1.0 CB B:ASP615 4.3 80.5 1.0 CA B:PRO614 4.4 81.5 1.0 CG B:GLU259 4.4 81.8 1.0 N B:PRO614 4.5 82.1 1.0 N B:PHE611 4.5 80.5 1.0 O B:PHE611 4.5 85.3 1.0 CA B:ALA610 4.5 76.0 1.0 CA B:PHE611 4.5 81.4 1.0 CA B:ILE613 4.6 80.1 1.0 C B:PHE611 4.7 85.7 1.0 N B:ILE613 4.7 81.1 1.0 CB B:ILE613 4.8 81.5 1.0 O B:PRO614 4.9 83.5 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