Sodium in PDB 9cgs: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal- 5'-Phosphate

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal- 5'-Phosphate, PDB code: 9cgs was solved by W.Awad, R.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.18 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	216.801, 70.076, 142.88, 90, 104.55, 90
R / Rfree (%)	17.3 / 20

The binding sites of Sodium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal- 5'-Phosphate (pdb code 9cgs). 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-Pyridoxal- 5'-Phosphate, PDB code: 9cgs:

Sodium binding site 1 out of 1 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal- 5'-Phosphate


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-Pyridoxal- 5'-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ H:Na302 b:42.6 occ:1.00 O H:HOH486 2.3 42.8 1.0 O H:TYR64 2.3 38.3 1.0 O H:HOH414 2.4 46.6 1.0 O H:HOH472 2.4 43.3 1.0 OH H:TYR47 2.6 39.2 1.0 O H:PRO61 2.8 37.7 1.0 C H:TYR64 3.5 45.1 1.0 CZ H:TYR47 3.6 41.1 1.0 C H:PRO61 3.7 37.8 1.0 CE1 H:TYR47 3.8 40.0 1.0 N H:TYR64 3.9 39.5 1.0 OD1 H:ASN65 4.1 61.1 0.5 CA H:ASN62 4.2 41.4 1.0 CB H:PRO61 4.3 38.8 1.0 CA H:TYR64 4.3 38.5 1.0 N H:GLY63 4.3 42.9 1.0 N H:ASN62 4.4 36.9 1.0 O H:HOH578 4.5 46.0 1.0 CA H:PRO61 4.5 37.1 1.0 N H:ASN65 4.6 39.9 1.0 C H:ASN62 4.7 41.7 1.0 O H:HOH585 4.7 53.2 1.0 CA H:ASN65 4.7 44.3 0.5 CA H:ASN65 4.8 44.4 0.5 OD1 H:ASN62 4.9 39.5 1.0 CG H:ASN65 4.9 51.2 0.5 CE2 H:TYR47 4.9 37.0 1.0 CB H:ASN65 4.9 47.5 0.5 C H:GLY63 4.9 42.6 1.0

W.Awad, R.Rossjohn. MR1 Presents Vitamin B6 Related Compounds For Recognition By MR1-Reactive T Cells Proc.Natl.Acad.Sci.Usa 2024.
ISSN: ESSN 1091-6490