Magnesium in PDB 5j1s: Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2

The structure of Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2, PDB code: 5j1s was solved by F.E.Demircioglu, T.U.Schwartz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.45 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.739, 90.659, 105.092, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 18.8

The structure of Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2 (pdb code 5j1s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2, PDB code: 5j1s:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:18.5 occ:1.00 OD1 A:ASN109 2.0 19.2 1.0 O2G A:ATP401 2.0 18.3 1.0 O2B A:ATP401 2.0 17.8 1.0 O A:HOH547 2.1 19.8 1.0 O A:HOH562 2.1 20.2 1.0 O A:HOH546 2.2 19.0 1.0 CG A:ASN109 3.1 18.2 1.0 PB A:ATP401 3.2 19.1 1.0 PG A:ATP401 3.2 18.6 1.0 O3B A:ATP401 3.4 19.0 1.0 OD1 A:ASP170 3.9 21.3 1.0 NH1 B:ARG449 3.9 20.5 1.0 CB A:ASN109 4.0 19.6 1.0 ND2 A:ASN109 4.0 22.1 1.0 O3G A:ATP401 4.0 19.7 1.0 NE2 A:GLN171 4.1 27.5 1.0 O3A A:ATP401 4.1 19.5 1.0 O2A A:ATP401 4.2 18.2 1.0 O B:HOH670 4.2 22.5 1.0 OD2 A:ASP170 4.2 22.7 1.0 N A:ASN109 4.2 19.3 1.0 O A:HOH649 4.2 25.8 1.0 NZ A:LYS320 4.3 20.9 1.0 O1G A:ATP401 4.4 19.5 1.0 O1B A:ATP401 4.4 18.8 1.0 CG A:ASP170 4.5 20.9 1.0 PA A:ATP401 4.6 19.5 1.0 CA A:ASN109 4.6 18.1 1.0 CB A:LYS108 5.0 20.0 1.0 CD1 A:LEU206 5.0 22.3 1.0

Magnesium binding site 2 out of 3 in the Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:42.6 occ:1.00 O B:HOH613 2.0 39.0 1.0 O B:GLN323 2.2 25.4 1.0 O B:HOH757 2.3 44.1 1.0 O B:THR320 2.5 26.1 1.0 O B:VAL325 2.6 30.1 1.0 O B:HOH650 3.3 45.7 1.0 C B:GLN323 3.3 30.3 1.0 C B:THR320 3.6 22.6 1.0 OG1 B:THR320 3.7 26.0 1.0 C B:VAL325 3.7 23.4 1.0 C B:LYS324 3.8 27.4 1.0 O B:LYS324 4.0 29.5 1.0 N B:VAL325 4.1 31.2 1.0 CA B:LYS324 4.1 29.5 1.0 N B:LYS324 4.1 29.8 1.0 O B:SER321 4.2 24.5 0.4 N B:GLN323 4.2 26.8 1.0 OD1 B:ASP317 4.3 32.9 1.0 CB B:THR320 4.3 24.5 1.0 CA B:GLN323 4.3 28.3 1.0 CA B:SER321 4.3 24.8 0.6 CA B:SER321 4.3 24.5 0.4 N B:SER321 4.4 24.0 0.6 C B:SER321 4.4 26.4 0.4 N B:SER321 4.4 22.4 0.4 O B:ASP317 4.5 23.7 1.0 CA B:VAL325 4.5 24.1 1.0 C B:SER321 4.5 21.6 0.6 CA B:THR320 4.6 21.5 1.0 O B:SER321 4.6 27.7 0.6 CB B:GLN323 4.8 26.0 1.0 N B:SER326 4.8 27.0 1.0 CG B:ASP317 4.9 31.4 1.0 OD2 B:ASP317 4.9 45.3 1.0

Magnesium binding site 3 out of 3 in the Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Torsina-LULL1 Complex, H. Sapiens, Bound to Vhh-BS2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg201 b:33.3 occ:1.00 O C:HOH373 2.2 32.8 1.0 O B:HOH800 2.4 47.5 1.0 O C:THR58 2.4 24.4 1.0 OG1 B:THR342 2.4 25.6 1.0 O C:HOH362 2.4 30.6 1.0 OG1 C:THR58 2.8 26.3 1.0 C C:THR58 3.3 20.8 1.0 CB B:THR342 3.5 24.2 1.0 CG2 B:THR342 3.5 27.8 1.0 N C:THR58 3.6 22.7 1.0 CA C:THR58 3.8 21.2 1.0 CB C:THR58 3.9 23.7 1.0 O B:HOH826 4.2 43.2 1.0 N C:THR59 4.3 20.9 1.0 O C:HOH376 4.4 54.8 1.0 CA B:THR342 4.4 20.1 1.0 O B:HOH678 4.5 33.0 1.0 O C:HOH383 4.5 46.2 1.0 O C:HOH306 4.6 42.7 1.0 CA C:THR59 4.7 20.8 1.0 C C:THR57 4.8 19.2 1.0 OD2 B:ASP339 4.9 30.9 1.0 CG2 C:THR57 4.9 23.2 1.0 O C:HOH319 4.9 34.4 1.0

F.E.Demircioglu, B.A.Sosa, J.Ingram, H.L.Ploegh, T.U.Schwartz. Structures of Torsina and Its Disease-Mutant Complexed with An Activator Reveal the Molecular Basis For Primary Dystonia. Elife V. 5 2016.
ISSN: ESSN 2050-084X
PubMed: 27490483
DOI: 10.7554/ELIFE.17983