Sodium in PDB 6puf: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru, PDB code: 6puf was solved by W.Awad, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	216.033, 69.815, 142.942, 90.00, 104.26, 90.00
R / Rfree (%)	17.8 / 22.1

The binding sites of Sodium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru (pdb code 6puf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru, PDB code: 6puf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru within 5.0Å range: probe atom residue distance (Å) B Occ F:Na103 b:32.7 occ:0.89 O F:HOH292 2.3 36.0 1.0 O F:LEU87 2.4 23.5 1.0 O F:HIS84 2.5 23.3 1.0 O F:HOH289 2.5 33.8 1.0 OD1 F:ASN83 2.6 31.5 1.0 O F:HOH277 2.8 29.9 1.0 C F:HIS84 3.4 24.4 1.0 CG F:ASN83 3.5 30.4 1.0 C F:LEU87 3.5 24.3 1.0 ND2 F:ASN83 3.8 35.3 1.0 N F:HIS84 3.9 22.2 1.0 CA F:VAL85 4.0 26.1 1.0 O F:HOH344 4.0 45.1 1.0 N F:VAL85 4.1 26.7 1.0 N F:LEU87 4.2 26.1 1.0 CA F:LEU87 4.2 27.3 1.0 C F:VAL85 4.3 26.0 1.0 O F:VAL85 4.3 25.6 1.0 CA F:HIS84 4.3 23.2 1.0 CB F:LEU87 4.4 26.5 1.0 O F:HOH326 4.6 49.3 1.0 N F:SER88 4.6 25.3 1.0 O F:HOH309 4.7 34.9 1.0 C F:SER88 4.7 29.4 1.0 O F:HOH360 4.7 54.0 1.0 CA F:SER88 4.8 28.6 0.5 CB F:ASN83 4.8 20.1 1.0 CA F:SER88 4.8 28.6 0.5 C F:ASN83 4.8 19.0 1.0 O F:SER88 4.9 32.0 1.0 N F:THR86 5.0 29.8 1.0

Sodium binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5'D-5-Op-Ru within 5.0Å range: probe atom residue distance (Å) B Occ H:Na302 b:25.8 occ:1.00 O H:HOH501 2.4 21.9 1.0 O H:TYR64 2.4 24.8 1.0 O H:HOH472 2.4 31.0 1.0 O H:HOH485 2.5 25.1 1.0 O H:PRO61 2.5 17.2 1.0 OH H:TYR47 2.6 25.3 1.0 C H:PRO61 3.4 21.7 1.0 C H:TYR64 3.6 25.4 1.0 CZ H:TYR47 3.6 25.1 1.0 CE1 H:TYR47 3.7 23.6 1.0 N H:TYR64 3.8 18.2 1.0 CA H:ASN62 4.0 29.2 1.0 CB H:PRO61 4.0 24.5 1.0 N H:ASN62 4.0 25.6 1.0 N H:GLY63 4.1 23.6 1.0 OD1 H:ASN65 4.1 51.7 1.0 CA H:PRO61 4.2 22.6 1.0 CA H:TYR64 4.2 19.1 1.0 O H:HOH457 4.3 42.7 1.0 C H:ASN62 4.4 27.5 1.0 CG H:ASN65 4.5 50.0 1.0 O H:HOH698 4.6 37.2 1.0 O H:HOH670 4.6 28.2 1.0 N H:ASN65 4.6 30.3 1.0 OD1 H:ASN62 4.7 33.1 1.0 C H:GLY63 4.8 26.8 1.0 ND2 H:ASN65 4.8 50.6 1.0 CE2 H:TYR47 4.9 23.5 1.0 CB H:TYR64 4.9 18.5 1.0 CG H:PRO61 4.9 27.9 1.0 CA H:ASN65 4.9 30.4 1.0 CA H:GLY63 5.0 26.2 1.0

W.Awad, J.Rossjohn. The Molecular Basis Underpinning the Potency and Specificity of Mait Cell Antigens To Be Published.