Magnesium in PDB 5kue: Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium

The structure of Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium, PDB code: 5kue was solved by C.Y.M.Mok, S.K.Lee, M.S.Junop, P.B.Stathopulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.44 / 1.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	55.500, 55.500, 69.020, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 21.2

The binding sites of Magnesium atom in the Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium (pdb code 5kue). 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 Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium, PDB code: 5kue:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:22.7 occ:1.00 O A:LEU144 2.8 14.5 1.0 O A:HOH323 2.8 26.8 1.0 O A:HOH369 2.8 20.4 1.0 O A:ASP148 2.8 14.0 1.0 O A:ASP147 3.1 13.7 1.0 C A:ASP147 3.5 16.0 1.0 CB A:ASP147 3.7 20.8 1.0 C A:ASP148 3.7 15.2 1.0 C A:LEU144 3.8 12.1 1.0 CD1 A:LEU144 3.8 14.6 1.0 CB A:PHE149 3.9 12.7 1.0 CA A:ASP147 3.9 18.3 1.0 N A:ASP147 4.0 17.5 1.0 CA A:LEU144 4.1 12.3 1.0 N A:ASP148 4.2 16.8 1.0 CD1 A:PHE149 4.3 11.2 1.0 N A:PHE149 4.4 12.4 1.0 CG A:LEU144 4.4 13.3 1.0 O1 A:EDO204 4.5 33.0 1.0 CA A:PHE149 4.5 11.3 1.0 CG A:PHE149 4.6 12.8 1.0 CA A:ASP148 4.6 15.5 1.0 O A:LEU143 4.7 14.2 1.0 CB A:LEU144 4.9 12.2 1.0 CG A:ASP147 4.9 29.2 1.0 N A:LEU145 5.0 12.5 1.0

Magnesium binding site 2 out of 2 in the Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Semet Incorporated I141M/L146M Mitochondrial Calcium Uniporter (Residues 72-189) Crystal Structure with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:22.9 occ:1.00 O A:VAL85 2.7 12.1 1.0 O A:HOH363 2.8 18.2 1.0 OG A:SER87 2.8 17.6 0.5 OG1 A:THR76 3.0 19.9 1.0 O A:THR76 3.2 13.6 1.0 N A:SER87 3.4 11.5 0.5 N A:SER87 3.4 11.5 0.5 CB A:SER87 3.5 16.9 0.5 CB A:SER87 3.5 16.9 0.5 C A:VAL85 3.6 13.9 1.0 C A:THR76 3.6 14.9 1.0 N A:VAL78 3.7 10.8 1.0 CG2 A:VAL78 3.7 14.7 1.0 O A:HOH303 3.8 18.5 1.0 CB A:VAL78 3.9 13.3 1.0 CB A:THR76 4.0 18.8 1.0 C A:ILE86 4.1 12.0 1.0 CA A:ILE86 4.1 10.8 1.0 N A:VAL77 4.1 13.1 1.0 CA A:SER87 4.1 12.1 0.5 CA A:SER87 4.1 12.1 0.5 CA A:VAL77 4.1 12.7 1.0 CG1 A:VAL85 4.1 11.8 1.0 N A:ILE86 4.2 10.0 1.0 C A:VAL77 4.2 14.9 1.0 CB A:VAL85 4.3 11.4 1.0 CA A:THR76 4.4 15.6 1.0 CA A:VAL78 4.4 11.9 1.0 CA A:VAL85 4.6 11.0 1.0 O A:HOH372 4.6 27.1 1.0 O A:HOH382 4.8 25.5 1.0 OG A:SER87 4.8 19.5 0.5 O A:VAL78 4.8 14.9 1.0

S.K.Lee, S.Shanmughapriya, M.C.Mok, Z.Dong, D.Tomar, E.Carvalho, S.Rajan, M.S.Junop, M.Madesh, P.B.Stathopulos. Structural Insights Into Mitochondrial Calcium Uniporter Regulation By Divalent Cations. Cell Chem Biol V. 23 1157 2016.
ISSN: ESSN 2451-9456
PubMed: 27569754
DOI: 10.1016/J.CHEMBIOL.2016.07.012