Chlorine in PDB 6mba: Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin

The structure of Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin, PDB code: 6mba was solved by J.Yoder, S.B.Gabelli, L.M.Amzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.88 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.720, 29.041, 94.991, 90.00, 123.65, 90.00
R / Rfree (%)	20.3 / 23.4

The binding sites of Chlorine atom in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin (pdb code 6mba). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin, PDB code: 6mba:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:77.1 occ:1.00 NZ A:LYS1673 3.4 42.1 1.0 O A:HOH2127 3.7 42.8 1.0 O A:HOH2150 4.3 46.2 1.0 O A:HOH2123 4.7 44.5 1.0 CE A:LYS1673 4.8 36.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2002 b:49.6 occ:1.00 N A:ASN1657 3.2 34.4 1.0 OD1 A:ASN1657 3.4 39.7 1.0 CA A:PRO1656 3.4 49.1 1.0 N A:LYS1658 3.6 38.7 1.0 OG A:SER1641 3.8 41.8 1.0 C A:PRO1656 3.8 41.1 1.0 CB A:LYS1658 4.0 46.9 1.0 CB A:PRO1656 4.0 43.4 1.0 CA A:ASN1657 4.2 37.0 1.0 CG A:LYS1655 4.2 49.1 1.0 C A:ASN1657 4.2 40.1 1.0 CD A:LYS1655 4.3 48.8 1.0 CG A:ASN1657 4.3 47.0 1.0 CA A:LYS1658 4.4 44.5 1.0 CB A:LYS1655 4.5 50.7 1.0 N A:PRO1656 4.6 49.0 1.0 CA A:LYS1655 4.7 47.7 1.0 OE1 B:GLU14 4.8 53.8 1.0 CB A:SER1641 4.8 37.2 1.0 O B:HOH306 4.8 39.3 1.0 CB A:ASN1657 4.9 29.7 1.0 O A:PRO1656 5.0 42.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:68.9 occ:1.00 OD2 B:ASP24 3.6 0.8 1.0 CG B:ASP24 4.8 0.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human NAV1.4 Cterminal Domain in Complex with Apo Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:85.1 occ:1.00 N B:GLU82 3.6 55.7 1.0 CB B:GLU82 3.8 55.6 1.0 CB B:THR146 4.1 46.9 1.0 CA B:GLU82 4.1 51.4 1.0 C B:SER81 4.3 48.3 1.0 CG2 B:THR146 4.4 42.9 1.0 CA B:SER81 4.5 51.4 1.0 OG1 B:THR146 4.5 48.0 1.0 OE2 B:GLU82 4.6 78.5 1.0 O B:THR146 4.7 53.5 1.0 O B:ASP80 4.8 53.6 1.0 O A:HOH2132 4.9 46.7 1.0

J.B.Yoder, M.Ben-Johny, F.Farinelli, L.Srinivasan, S.R.Shoemaker, G.F.Tomaselli, S.B.Gabelli, L.M.Amzel. CA2+-Dependent Regulation of Sodium Channels NAV1.4 and NAV1.5 Is Controlled By the Post-Iq Motif. Nat Commun V. 10 1514 2019.
ISSN: ESSN 2041-1723
PubMed: 30944319
DOI: 10.1038/S41467-019-09570-7