Magnesium in PDB 2ixe: Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant)

The structure of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant), PDB code: 2ixe was solved by E.Procko, I.Ferrin-O'connell, S.-L.Ng, R.Gaudet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.55 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	80.431, 80.431, 168.115, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.1

The binding sites of Magnesium atom in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant) (pdb code 2ixe). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant), PDB code: 2ixe:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:32.5 occ:1.00 O3G A:ATP1 1.9 33.5 1.0 O A:HOH2114 2.0 30.7 1.0 O A:HOH2003 2.0 31.0 1.0 OG A:SER522 2.1 40.0 1.0 O2B A:ATP1 2.2 30.9 1.0 O A:HOH2036 2.2 40.2 1.0 CB A:SER522 3.2 40.3 1.0 PG A:ATP1 3.2 33.4 1.0 PB A:ATP1 3.3 33.0 1.0 O3B A:ATP1 3.6 32.9 1.0 N A:SER522 4.0 40.4 1.0 OD1 A:ASP644 4.0 42.6 1.0 O1G A:ATP1 4.0 33.0 1.0 O2A A:ATP1 4.0 39.0 1.0 OD2 A:ASP644 4.1 44.7 1.0 CA A:SER522 4.1 40.3 1.0 O D:HOH2097 4.1 50.0 1.0 N D:GLY622 4.2 30.0 1.0 O A:HOH2118 4.3 47.7 1.0 O3A A:ATP1 4.4 35.2 1.0 O2G A:ATP1 4.4 32.0 1.0 O D:HOH2118 4.4 54.4 1.0 O1B A:ATP1 4.4 33.8 1.0 CG A:ASP644 4.5 42.4 1.0 ND2 A:ASN645 4.6 49.7 1.0 PA A:ATP1 4.7 38.9 1.0 CB D:SER621 4.7 30.6 1.0 CA D:GLY622 4.8 29.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645N Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2 b:33.0 occ:1.00 O2B D:ATP1 2.0 24.8 1.0 O3G D:ATP1 2.0 29.1 1.0 O D:HOH2007 2.1 27.0 1.0 O D:HOH2002 2.1 32.0 1.0 OG D:SER522 2.2 39.7 1.0 O D:HOH2001 2.3 45.2 1.0 PB D:ATP1 3.2 25.9 1.0 CB D:SER522 3.2 40.2 1.0 PG D:ATP1 3.3 29.4 1.0 O3B D:ATP1 3.4 26.1 1.0 O2A D:ATP1 3.7 29.1 1.0 N D:SER522 3.9 40.4 1.0 O D:HOH2052 4.0 42.8 1.0 OD1 D:ASP644 4.1 47.5 1.0 CA D:SER522 4.1 40.1 1.0 O1G D:ATP1 4.1 30.4 1.0 O D:HOH2003 4.2 44.0 1.0 N A:GLY622 4.2 40.1 1.0 O3A D:ATP1 4.2 27.5 1.0 O A:HOH2108 4.2 53.0 1.0 O D:HOH2113 4.3 41.3 1.0 OD2 D:ASP644 4.4 47.2 1.0 O2G D:ATP1 4.4 30.5 1.0 O1B D:ATP1 4.4 26.3 1.0 PA D:ATP1 4.5 29.3 1.0 CG D:ASP644 4.7 44.0 1.0 CB A:SER621 4.8 41.0 1.0 CA A:GLY622 4.9 39.7 1.0 CB D:LYS521 5.0 40.5 1.0 C D:LYS521 5.0 40.2 1.0

E.Procko, I.Ferrin-O'connell, S.-L.Ng, R.Gaudet. Distinct Structural and Functional Properties of the Atpase Sites in An Asymmetric Abc Transporter. Mol.Cell V. 24 51 2001.
ISSN: ISSN 1097-2765
PubMed: 17018292
DOI: 10.1016/J.MOLCEL.2006.07.034