Sodium in PDB 6puh: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Ribityl- Less

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Ribityl- Less, PDB code: 6puh was solved by W.Awad, A.N.Keller, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.43 / 1.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	218.478, 70.562, 143.980, 90.00, 104.74, 90.00
R / Rfree (%)	16 / 19.5

The binding sites of Sodium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Ribityl- Less (pdb code 6puh). 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-Ribityl- Less, PDB code: 6puh:
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-Ribityl- Less


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-Ribityl- Less within 5.0Å range: probe atom residue distance (Å) B Occ F:Na101 b:38.7 occ:1.00 O F:LEU87 2.3 36.7 1.0 O F:HOH285 2.4 43.3 1.0 O F:HIS84 2.5 31.4 1.0 O F:HOH277 2.5 40.5 1.0 OD1 F:ASN83 2.5 40.9 1.0 O F:HOH302 2.6 42.4 1.0 C F:HIS84 3.4 32.8 1.0 C F:LEU87 3.4 34.0 1.0 CG F:ASN83 3.5 42.3 1.0 N F:HIS84 3.9 31.1 1.0 ND2 F:ASN83 4.0 43.8 1.0 CA F:VAL85 4.0 31.6 1.0 N F:LEU87 4.0 32.4 1.0 CA F:LEU87 4.1 32.3 1.0 N F:VAL85 4.1 31.7 1.0 CB F:LEU87 4.2 32.3 1.0 O F:VAL85 4.2 32.6 1.0 C F:VAL85 4.2 33.1 1.0 O F:HOH321 4.2 55.6 1.0 CA F:HIS84 4.3 30.3 1.0 N F:SER88 4.5 37.6 1.0 C F:SER88 4.6 40.6 1.0 O F:SER88 4.6 45.3 1.0 O F:HOH304 4.6 41.3 1.0 CA F:SER88 4.7 39.5 1.0 CB F:ASN83 4.8 37.4 1.0 C F:ASN83 4.9 28.7 1.0 N F:THR86 4.9 31.1 1.0 N F:GLN89 5.0 38.4 1.0

Sodium binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Ribityl- Less


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-Ribityl- Less within 5.0Å range: probe atom residue distance (Å) B Occ G:Na301 b:28.2 occ:1.00 O G:TYR64 2.3 27.9 1.0 O G:HOH644 2.4 33.8 1.0 OH G:TYR47 2.4 30.0 1.0 O G:HOH574 2.4 29.2 1.0 O G:HOH554 2.5 32.6 1.0 O G:PRO61 2.6 24.3 1.0 CZ G:TYR47 3.5 28.1 1.0 C G:PRO61 3.5 24.9 1.0 C G:TYR64 3.5 24.3 1.0 CE1 G:TYR47 3.6 27.9 1.0 N G:TYR64 3.9 26.9 1.0 O G:HOH514 4.1 44.7 1.0 CA G:ASN62 4.1 29.0 1.0 CB G:PRO61 4.1 26.2 1.0 N G:GLY63 4.2 26.0 1.0 N G:ASN62 4.2 26.5 1.0 OD1 G:ASN65 4.3 37.5 0.6 CA G:TYR64 4.3 23.6 1.0 O G:HOH797 4.3 46.8 1.0 CA G:PRO61 4.3 23.7 1.0 O G:HOH703 4.3 34.2 1.0 CG G:ASN65 4.4 37.7 0.6 C G:ASN62 4.5 30.3 1.0 O G:HOH663 4.5 44.2 1.0 ND2 G:ASN65 4.5 42.1 0.6 N G:ASN65 4.5 24.3 1.0 O G:HOH763 4.6 47.0 1.0 OD1 G:ASN62 4.7 36.5 1.0 CA G:ASN65 4.7 29.7 0.4 CE2 G:TYR47 4.7 27.9 1.0 CA G:ASN65 4.8 29.7 0.6 CB G:TYR64 4.8 22.0 1.0 O G:HOH785 4.8 44.8 1.0 C G:GLY63 4.9 25.9 1.0 CB G:ASN65 4.9 34.9 0.4

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