Sodium in PDB 5u6q: Structure of Human MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr

The structure of Structure of Human MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr, PDB code: 5u6q was solved by A.N.Keller, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.39 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	217.668, 70.510, 143.370, 90.00, 104.77, 90.00
R / Rfree (%)	18.2 / 22.2

The binding sites of Sodium atom in the Structure of Human MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr (pdb code 5u6q). 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 MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr, PDB code: 5u6q:

Sodium binding site 1 out of 1 in the Structure of Human MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr


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 MR1-3-F-Sa in Complex with Human Mait A-F7 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ G:Na301 b:30.7 occ:1.00 O G:TYR64 2.4 31.2 1.0 O G:HOH425 2.5 26.6 1.0 OH G:TYR47 2.5 28.5 1.0 O G:PRO61 2.5 31.6 1.0 C G:PRO61 3.3 30.9 1.0 CZ G:TYR47 3.6 26.2 1.0 C G:TYR64 3.6 32.2 1.0 CE2 G:TYR47 3.8 24.7 1.0 N G:TYR64 3.9 28.4 1.0 CA G:ASN62 3.9 35.1 1.0 N G:ASN62 4.0 33.5 1.0 CB G:PRO61 4.0 31.6 1.0 N G:GLY63 4.0 31.0 1.0 CA G:PRO61 4.2 29.6 1.0 OE2 G:GLU79 4.2 76.0 1.0 CA G:TYR64 4.3 27.2 1.0 C G:ASN62 4.4 33.6 1.0 O G:HOH410 4.6 53.9 1.0 OD1 G:ASN62 4.6 43.4 1.0 N G:ASN65 4.6 26.8 1.0 CE1 G:TYR47 4.8 26.2 1.0 CA G:ASN65 4.8 36.9 1.0 C G:GLY63 4.9 31.7 1.0 CB G:TYR64 4.9 26.0 1.0 CG G:PRO61 5.0 31.9 1.0

A.N.Keller, S.B.Eckle, W.Xu, L.Liu, V.A.Hughes, J.Y.Mak, B.S.Meehan, T.Pediongco, R.W.Birkinshaw, Z.Chen, H.Wang, C.D'souza, L.Kjer-Nielsen, N.A.Gherardin, D.I.Godfrey, L.Kostenko, A.J.Corbett, A.W.Purcell, D.P.Fairlie, J.Mccluskey, J.Rossjohn. Drugs and Drug-Like Molecules Can Modulate the Function of Mucosal-Associated Invariant T Cells. Nat. Immunol. V. 18 402 2017.
ISSN: ESSN 1529-2916
PubMed: 28166217
DOI: 10.1038/NI.3679