Magnesium in PDB 3qrf: Structure of A Domain-Swapped FOXP3 Dimer

The structure of Structure of A Domain-Swapped FOXP3 Dimer, PDB code: 3qrf was solved by H.S.Bandukwala, Y.Wu, M.Feurer, Y.Chen, B.Barbosa, S.Ghosh, J.C.Stroud, C.Benoist, D.Mathis, A.Rao, L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	83.667, 131.234, 68.665, 90.00, 89.95, 90.00
R / Rfree (%)	24.8 / 28.3

The binding sites of Magnesium atom in the Structure of A Domain-Swapped FOXP3 Dimer (pdb code 3qrf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of A Domain-Swapped FOXP3 Dimer, PDB code: 3qrf:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of A Domain-Swapped FOXP3 Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A Domain-Swapped FOXP3 Dimer within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg1 b:43.1 occ:1.00 O F:HIS392 2.6 41.7 1.0 O F:PHE395 2.6 43.2 1.0 O F:LEU389 2.8 39.2 1.0 O F:SER390 2.8 39.2 1.0 CA F:SER390 3.4 36.5 1.0 C F:SER390 3.4 36.7 1.0 C F:HIS392 3.7 39.2 1.0 C F:PHE395 3.7 42.3 1.0 C F:LEU389 3.8 37.0 1.0 N F:SER390 4.1 36.5 1.0 CA F:LYS393 4.3 44.0 1.0 N F:PHE395 4.3 42.4 1.0 CZ3 F:TRP406 4.4 34.9 1.0 N F:LYS393 4.4 41.2 1.0 CA F:PHE395 4.4 40.5 1.0 CB F:PHE395 4.4 36.5 1.0 N F:HIS392 4.5 37.3 1.0 CB F:SER390 4.5 37.6 1.0 N F:LEU391 4.6 36.0 1.0 C F:LYS393 4.6 43.6 1.0 CA F:HIS392 4.7 38.0 1.0 N F:VAL396 4.7 44.3 1.0 CH2 F:TRP406 4.8 33.5 1.0 C F:LEU391 4.9 35.7 1.0 CA F:VAL396 4.9 46.0 1.0 N F:CYS394 5.0 43.4 1.0

Magnesium binding site 2 out of 4 in the Structure of A Domain-Swapped FOXP3 Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A Domain-Swapped FOXP3 Dimer within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg1 b:62.1 occ:1.00 O G:HIS392 2.4 52.0 1.0 O G:PHE395 2.7 51.4 1.0 O G:LEU389 2.9 41.6 1.0 O G:SER390 3.3 47.4 1.0 C G:HIS392 3.6 51.7 1.0 C G:PHE395 3.8 51.2 1.0 C G:SER390 3.9 45.1 1.0 CA G:LYS393 4.0 54.7 1.0 CA G:SER390 4.0 42.9 1.0 C G:LEU389 4.0 41.2 1.0 N G:LYS393 4.2 54.4 1.0 O G:LYS393 4.3 52.1 1.0 C G:LYS393 4.3 52.9 1.0 N G:PHE395 4.4 50.4 1.0 CB G:PHE395 4.5 48.4 1.0 CA G:PHE395 4.5 50.5 1.0 N G:SER390 4.5 41.6 1.0 CZ3 G:TRP406 4.6 38.2 1.0 O G:LEU391 4.6 49.9 1.0 C G:LEU391 4.7 48.9 1.0 CA G:HIS392 4.7 49.8 1.0 N G:HIS392 4.7 49.8 1.0 N G:VAL396 4.8 52.0 1.0 N G:LEU391 4.9 46.6 1.0

Magnesium binding site 3 out of 4 in the Structure of A Domain-Swapped FOXP3 Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of A Domain-Swapped FOXP3 Dimer within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg1 b:43.1 occ:1.00 O H:HIS392 2.6 41.4 1.0 O H:PHE395 2.7 42.6 1.0 O H:SER390 2.8 39.1 1.0 O H:LEU389 2.9 40.5 1.0 CA H:SER390 3.4 37.0 1.0 C H:SER390 3.4 37.3 1.0 C H:HIS392 3.6 39.3 1.0 C H:PHE395 3.8 41.5 1.0 C H:LEU389 3.9 37.6 1.0 N H:SER390 4.2 36.6 1.0 CA H:LYS393 4.2 44.6 1.0 N H:LYS393 4.3 42.1 1.0 N H:PHE395 4.4 40.9 1.0 N H:HIS392 4.5 37.3 1.0 CZ3 H:TRP406 4.5 35.6 1.0 CB H:SER390 4.5 37.9 1.0 CA H:PHE395 4.5 39.2 1.0 CB H:PHE395 4.6 35.2 1.0 N H:LEU391 4.6 36.3 1.0 CA H:HIS392 4.6 38.0 1.0 C H:LYS393 4.6 44.2 1.0 N H:VAL396 4.8 43.3 1.0 C H:LEU391 4.8 35.8 1.0 CH2 H:TRP406 4.9 34.7 1.0 CA H:VAL396 5.0 44.4 1.0 N H:CYS394 5.0 43.4 1.0

Magnesium binding site 4 out of 4 in the Structure of A Domain-Swapped FOXP3 Dimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of A Domain-Swapped FOXP3 Dimer within 5.0Å range: probe atom residue distance (Å) B Occ I:Mg1 b:61.2 occ:1.00 O I:HIS392 2.5 52.6 1.0 O I:PHE395 2.7 51.8 1.0 O I:LEU389 2.8 40.3 1.0 O I:SER390 3.3 47.2 1.0 C I:HIS392 3.6 52.4 1.0 C I:SER390 3.8 44.7 1.0 C I:PHE395 3.8 51.4 1.0 C I:LEU389 3.9 40.2 1.0 CA I:SER390 3.9 42.0 1.0 CA I:LYS393 4.1 55.0 1.0 N I:LYS393 4.3 54.8 1.0 N I:SER390 4.4 40.4 1.0 O I:LYS393 4.4 53.4 1.0 N I:PHE395 4.4 50.6 1.0 C I:LYS393 4.4 53.3 1.0 CZ3 I:TRP406 4.4 38.0 1.0 CB I:PHE395 4.4 48.2 1.0 CA I:PHE395 4.5 50.5 1.0 O I:LEU391 4.7 50.9 1.0 C I:LEU391 4.7 49.4 1.0 N I:HIS392 4.7 50.1 1.0 CA I:HIS392 4.8 50.5 1.0 N I:LEU391 4.8 46.0 1.0 N I:VAL396 4.9 52.5 1.0

H.S.Bandukwala, Y.Wu, M.Feuerer, Y.Chen, B.Barboza, S.Ghosh, J.C.Stroud, C.Benoist, D.Mathis, A.Rao, L.Chen. Structure of A Domain-Swapped FOXP3 Dimer on Dna and Its Function in Regulatory T Cells. Immunity V. 34 479 2011.
ISSN: ISSN 1074-7613
PubMed: 21458306
DOI: 10.1016/J.IMMUNI.2011.02.017