Magnesium in PDB 6wud: Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347

The structure of Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347, PDB code: 6wud was solved by L.Shapiro, G.Dionne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.17 / 1.84
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.65, 100.65, 49.723, 90, 90, 120
R / Rfree (%)	16.4 / 18.8

The binding sites of Magnesium atom in the Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347 (pdb code 6wud). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347, PDB code: 6wud:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:30.7 occ:1.00 OD1 A:ASN118 1.9 32.8 1.0 OD2 A:ASP127 2.0 31.1 1.0 O A:TYR122 2.0 31.9 1.0 OD1 A:ASP116 2.1 29.1 1.0 OD1 A:ASP120 2.1 35.9 1.0 O A:HOH328 2.1 34.2 1.0 CG A:ASN118 3.0 36.0 1.0 CG A:ASP127 3.0 32.1 1.0 CG A:ASP120 3.1 37.7 1.0 CG A:ASP116 3.1 32.7 1.0 H A:ASP120 3.2 41.4 1.0 C A:TYR122 3.2 31.3 1.0 HD21 A:ASN118 3.2 47.5 1.0 H A:TYR122 3.3 36.2 1.0 HA A:ILE123 3.4 33.1 1.0 OD1 A:ASP127 3.4 31.8 1.0 H A:ASN118 3.5 37.7 1.0 ND2 A:ASN118 3.5 39.5 1.0 OD2 A:ASP120 3.5 35.2 1.0 HA A:ASP116 3.6 33.4 1.0 HG A:CYS124 3.6 43.0 1.0 H A:CYS124 3.7 37.0 1.0 OD2 A:ASP116 3.9 31.1 1.0 HB2 A:TYR122 4.0 37.8 1.0 N A:ASP120 4.0 34.5 1.0 CB A:ASP116 4.0 27.3 1.0 N A:TYR122 4.0 30.1 1.0 H A:ASN119 4.1 40.9 1.0 N A:ILE123 4.1 31.7 1.0 CA A:ASP116 4.1 27.8 1.0 HB2 A:ASP116 4.1 32.9 1.0 CA A:TYR122 4.1 31.8 1.0 CA A:ILE123 4.1 27.5 1.0 N A:ASN118 4.2 31.4 1.0 CB A:ASP120 4.3 39.6 1.0 CB A:ASN118 4.3 38.0 1.0 CB A:ASP127 4.3 31.4 1.0 C A:ASP116 4.3 29.8 1.0 N A:ASN119 4.3 34.0 1.0 HD22 A:ASN118 4.3 47.5 1.0 HB2 A:ASP127 4.3 37.8 1.0 N A:CYS124 4.4 30.8 1.0 C A:ASN118 4.5 38.0 1.0 HB3 A:ASP120 4.5 47.5 1.0 CA A:ASN118 4.5 33.1 1.0 CB A:TYR122 4.5 31.4 1.0 H A:PHE117 4.6 32.8 1.0 CA A:ASP120 4.6 35.6 1.0 N A:PHE117 4.6 27.3 1.0 SG A:CYS124 4.6 35.8 1.0 H A:ASP121 4.6 43.7 1.0 HB3 A:ASP127 4.6 37.8 1.0 HG12 A:ILE123 4.7 31.6 1.0 O A:ASP116 4.8 32.0 1.0 N A:ASP121 4.8 36.4 1.0 HB3 A:TYR122 4.8 37.8 1.0 C A:ASP120 4.8 36.1 1.0 C A:ILE123 4.8 29.2 1.0 HB2 A:ASN118 4.8 45.6 1.0 HB3 A:CYS124 4.8 39.0 1.0 HB3 A:ASN118 4.8 45.6 1.0 HB3 A:ASP116 4.9 32.9 1.0 H A:ILE123 4.9 38.1 1.0 HG13 A:ILE123 5.0 31.6 1.0 HA A:TYR122 5.0 38.2 1.0

Magnesium binding site 2 out of 2 in the Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:37.3 occ:1.00 OD1 A:ASP157 1.9 41.5 1.0 OD2 A:ASP159 1.9 46.0 1.0 O A:HOH303 2.0 41.6 1.0 OD2 A:ASP168 2.2 37.5 1.0 O A:ARG163 2.2 37.9 1.0 OD1 A:ASP161 2.2 44.2 1.0 CG A:ASP161 3.0 46.4 1.0 CG A:ASP159 3.1 47.9 1.0 CG A:ASP157 3.1 44.0 1.0 H A:ASP161 3.1 60.2 1.0 CG A:ASP168 3.3 39.3 1.0 H A:ASP159 3.3 54.9 1.0 H A:ARG163 3.4 46.2 1.0 OD2 A:ASP161 3.4 46.8 1.0 H A:SER165 3.4 39.5 1.0 C A:ARG163 3.4 37.3 1.0 HA A:LEU164 3.6 35.1 1.0 HA A:ASP157 3.6 50.7 1.0 OD1 A:ASP159 3.6 48.4 1.0 OD2 A:ASP157 3.8 42.6 1.0 OD1 A:ASP168 3.9 41.1 1.0 H A:HIS160 3.9 58.1 1.0 N A:ASP161 4.0 50.1 1.0 N A:ASP159 4.0 45.7 1.0 CB A:ASP157 4.2 38.5 1.0 N A:ARG163 4.2 38.5 1.0 N A:SER165 4.2 32.9 1.0 CA A:ASP157 4.2 42.2 1.0 N A:HIS160 4.2 48.4 1.0 H A:GLY158 4.2 55.0 1.0 CB A:ASP161 4.2 47.8 1.0 HG2 A:ARG163 4.3 49.4 1.0 CA A:LEU164 4.3 29.2 1.0 CB A:ASP159 4.3 52.0 1.0 N A:LEU164 4.3 30.9 1.0 C A:ASP157 4.3 45.0 1.0 HG3 A:ARG163 4.4 49.4 1.0 N A:GLY158 4.4 45.7 1.0 C A:ASP159 4.4 46.6 1.0 HB3 A:ASP161 4.4 57.5 1.0 CA A:ASP159 4.4 53.8 1.0 CA A:ARG163 4.4 37.2 1.0 HB2 A:ASP157 4.4 46.2 1.0 HD23 A:LEU164 4.4 42.3 1.0 H A:GLY162 4.5 58.3 1.0 HB3 A:SER165 4.5 39.5 1.0 CB A:ASP168 4.5 34.7 1.0 CA A:ASP161 4.6 48.6 1.0 HB2 A:ASP168 4.6 41.7 1.0 HB2 A:ASP159 4.7 62.5 1.0 OG A:SER165 4.7 31.6 1.0 C A:LEU164 4.7 32.9 1.0 CG A:ARG163 4.7 41.1 1.0 HB3 A:ASP168 4.7 41.7 1.0 N A:GLY162 4.8 48.5 1.0 HG A:SER165 4.8 38.0 1.0 O A:ASP157 4.8 41.9 1.0 C A:ASP161 4.9 50.5 1.0 HA A:HIS160 5.0 61.7 1.0 C A:HIS160 5.0 49.0 1.0 HB3 A:ASP157 5.0 46.2 1.0 HB3 A:ASP159 5.0 62.5 1.0 CB A:SER165 5.0 32.9 1.0 CA A:HIS160 5.0 51.4 1.0

X.Liang, X.Qiu, G.Dionne, C.Cunningham, M.L.Pucak, G.Peng, Y.Kim, A.Lauer, L.Shapiro, U.Mueller. CIB2 and CIB3 Are Auxiliary Subunits of the Mechanotransduction Channel of Hair Cells Neuron 2021.
ISSN: ISSN 0896-6273
DOI: 10.1016/J.NEURON.2021.05.007