Sodium in PDB 6pug: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U, PDB code: 6pug 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)	47.03 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	212.620, 69.266, 142.055, 90.00, 103.68, 90.00
R / Rfree (%)	16 / 19.4

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U (pdb code 6pug). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U, PDB code: 6pug:

Sodium binding site 1 out of 1 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-2`Oh-Ethyl- 5-Op-U


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 MR1-2`Oh-Ethyl- 5-Op-U within 5.0Å range: probe atom residue distance (Å) B Occ H:Na301 b:22.8 occ:1.00 O H:HOH596 2.4 21.3 1.0 O H:TYR64 2.4 19.4 1.0 O H:HOH427 2.4 34.4 1.0 OH H:TYR47 2.5 23.3 1.0 O H:PRO61 2.5 17.6 1.0 O H:HOH572 2.5 25.7 1.0 C H:PRO61 3.4 21.4 1.0 CZ H:TYR47 3.5 22.7 1.0 C H:TYR64 3.5 19.7 1.0 CE1 H:TYR47 3.7 21.7 1.0 N H:TYR64 3.8 17.8 1.0 OD1 H:ASN65 3.8 24.3 0.2 O H:HOH425 4.0 40.9 1.0 N H:GLY63 4.0 19.2 1.0 CA H:ASN62 4.0 18.3 1.0 CB H:PRO61 4.1 18.2 1.0 OE2 H:GLU79 4.1 34.6 1.0 N H:ASN62 4.1 19.0 1.0 CA H:TYR64 4.2 15.0 1.0 CA H:PRO61 4.3 19.4 1.0 O H:HOH465 4.3 38.7 1.0 CG H:ASN65 4.4 24.9 0.2 C H:ASN62 4.4 19.1 1.0 O H:HOH409 4.4 36.1 1.0 N H:ASN65 4.6 17.9 1.0 O H:HOH720 4.6 38.5 1.0 C H:GLY63 4.8 21.2 1.0 ND2 H:ASN65 4.8 27.0 0.2 CA H:ASN65 4.8 20.6 0.8 CE2 H:TYR47 4.8 17.6 1.0 CB H:TYR64 4.8 14.4 1.0 OD1 H:ASN62 4.8 26.9 1.0 CA H:ASN65 4.9 21.3 0.2 CG H:PRO61 4.9 21.8 1.0 CB H:ASN65 4.9 24.5 0.8 CA H:GLY63 5.0 21.1 1.0 CD H:GLU79 5.0 32.9 1.0

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