Magnesium in PDB 2ixf: Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant)

The structure of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant), PDB code: 2ixf 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)	38.49 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.269, 108.917, 123.561, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 25.8

The binding sites of Magnesium atom in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant) (pdb code 2ixf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant), PDB code: 2ixf:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H 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 (D645Q, Q678H Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:27.7 occ:1.00 O A:HOH2007 2.1 21.8 1.0 O3G A:ATP1 2.3 23.9 1.0 O A:HOH2064 2.4 35.3 1.0 O2B A:ATP1 2.4 23.2 1.0 OG A:SER522 2.4 36.5 1.0 O A:HOH2168 2.5 28.9 1.0 CB A:SER522 3.5 36.4 1.0 PG A:ATP1 3.5 23.7 1.0 PB A:ATP1 3.5 21.3 1.0 O3B A:ATP1 3.6 22.3 1.0 O2A A:ATP1 3.8 21.6 1.0 NE2 A:GLN645 3.9 37.8 1.0 O A:HOH2065 4.0 48.2 1.0 N B:GLY622 4.1 34.8 1.0 O A:HOH2001 4.2 21.6 1.0 O1G A:ATP1 4.3 20.7 1.0 N A:SER522 4.4 36.7 1.0 O B:HOH2156 4.4 40.9 1.0 O3A A:ATP1 4.4 22.3 1.0 OD1 A:ASP644 4.4 35.6 1.0 CA A:SER522 4.5 36.7 1.0 O A:HOH2013 4.6 29.4 1.0 PA A:ATP1 4.6 22.0 1.0 O2G A:ATP1 4.6 23.8 1.0 CA B:GLY622 4.7 34.8 1.0 OD2 A:ASP644 4.7 39.1 1.0 CB B:SER621 4.8 35.6 1.0 O1B A:ATP1 4.8 20.0 1.0 CG A:ASP644 5.0 37.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H 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 (D645Q, Q678H Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2 b:30.8 occ:1.00 O B:HOH2004 2.0 22.0 1.0 O3G B:ATP1 2.3 24.1 1.0 O2B B:ATP1 2.5 24.5 1.0 OG B:SER522 2.5 36.4 1.0 O B:HOH2167 2.5 39.4 1.0 O B:HOH2162 2.6 34.7 1.0 CB B:SER522 3.5 35.9 1.0 PG B:ATP1 3.6 24.0 1.0 PB B:ATP1 3.6 22.3 1.0 O3B B:ATP1 3.7 22.9 1.0 O2A B:ATP1 3.8 21.4 1.0 NE2 B:GLN645 3.9 39.5 1.0 N A:GLY622 4.1 35.3 1.0 O B:HOH2008 4.3 26.7 1.0 O1G B:ATP1 4.3 23.1 1.0 N B:SER522 4.4 36.1 1.0 OD1 B:ASP644 4.4 37.5 1.0 O B:HOH2015 4.4 47.2 1.0 O B:HOH2166 4.4 34.0 1.0 O3A B:ATP1 4.4 23.5 1.0 CA B:SER522 4.5 36.1 1.0 PA B:ATP1 4.6 22.0 1.0 OD2 B:ASP644 4.6 39.8 1.0 O2G B:ATP1 4.7 23.3 1.0 CA A:GLY622 4.8 35.1 1.0 CB A:SER621 4.8 36.2 1.0 O1B B:ATP1 4.8 21.5 1.0 O B:HOH2104 4.9 41.4 1.0 CG B:ASP644 4.9 38.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg2 b:34.7 occ:1.00 O C:HOH2004 2.1 28.4 1.0 O3G C:ATP1 2.3 24.7 1.0 O C:HOH2164 2.4 38.2 1.0 OG C:SER522 2.5 33.3 1.0 O C:HOH2160 2.5 25.5 1.0 O2B C:ATP1 2.5 24.4 1.0 CB C:SER522 3.5 34.7 1.0 PG C:ATP1 3.5 24.8 1.0 PB C:ATP1 3.6 23.9 1.0 NE2 C:GLN645 3.7 38.3 1.0 O3B C:ATP1 3.7 24.5 1.0 O2A C:ATP1 4.0 25.3 1.0 N D:GLY622 4.2 36.5 1.0 O C:HOH2001 4.2 41.0 1.0 OD1 C:ASP644 4.3 40.2 1.0 O1G C:ATP1 4.3 26.1 1.0 O C:HOH2010 4.3 45.4 1.0 N C:SER522 4.3 35.3 1.0 O C:HOH2165 4.4 35.2 1.0 CA C:SER522 4.4 35.2 1.0 O3A C:ATP1 4.5 24.2 1.0 OD2 C:ASP644 4.5 39.8 1.0 O2G C:ATP1 4.6 25.8 1.0 O C:HOH2158 4.6 47.5 1.0 CA D:GLY622 4.7 36.4 1.0 PA C:ATP1 4.7 24.9 1.0 CD C:GLN645 4.8 37.8 1.0 CG C:ASP644 4.8 38.2 1.0 CB D:SER621 4.8 37.4 1.0 O1B C:ATP1 4.8 21.9 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of the Atpase Domain of TAP1 with Atp (D645Q, Q678H Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg2 b:27.5 occ:1.00 O D:HOH2001 2.0 22.6 1.0 O3G D:ATP1 2.2 28.8 1.0 O D:HOH2141 2.3 38.8 1.0 OG D:SER522 2.4 35.5 1.0 O2B D:ATP1 2.5 26.8 1.0 O D:HOH2136 2.7 26.3 1.0 CB D:SER522 3.4 36.1 1.0 PG D:ATP1 3.5 28.4 1.0 PB D:ATP1 3.7 26.5 1.0 O3B D:ATP1 3.7 28.4 1.0 NE2 D:GLN645 3.8 37.9 1.0 O2A D:ATP1 3.9 27.0 1.0 N C:GLY622 4.1 37.0 1.0 O D:HOH2009 4.2 49.5 1.0 O D:HOH2010 4.2 43.2 1.0 O D:HOH2142 4.3 43.8 1.0 O1G D:ATP1 4.3 28.8 1.0 OD1 D:ASP644 4.3 39.1 1.0 N D:SER522 4.4 36.3 1.0 CA D:SER522 4.5 36.0 1.0 OD2 D:ASP644 4.5 39.5 1.0 O3A D:ATP1 4.5 27.1 1.0 O2G D:ATP1 4.6 27.5 1.0 O D:HOH2187 4.6 32.1 1.0 CB C:SER621 4.7 37.4 1.0 PA D:ATP1 4.7 26.0 1.0 CA C:GLY622 4.7 36.9 1.0 CG D:ASP644 4.8 38.8 1.0 O1B D:ATP1 4.9 26.3 1.0 CD D:GLN645 5.0 37.9 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