Sodium in PDB 9btz: Structure of Human Mait A-F7 Tcr in Complex with Human MR1- Nicotinaldehyde

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1- Nicotinaldehyde, PDB code: 9btz 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)	49.84 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	214.567, 69.621, 143.344, 90, 104.17, 90
R / Rfree (%)	19.3 / 25.5

The binding sites of Sodium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1- Nicotinaldehyde (pdb code 9btz). 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- Nicotinaldehyde, PDB code: 9btz:

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


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- Nicotinaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ H:Na302 b:63.1 occ:1.00 O H:PRO61 2.4 49.7 1.0 O H:TYR64 2.5 64.8 1.0 O H:HOH418 2.6 46.8 1.0 OH H:TYR47 3.1 58.5 1.0 C H:PRO61 3.4 54.2 1.0 O H:HOH420 3.4 51.9 1.0 N H:TYR64 3.5 57.0 1.0 C H:TYR64 3.5 61.4 1.0 N H:GLY63 3.7 57.2 1.0 CA H:ASN62 3.9 61.7 1.0 CZ H:TYR47 4.0 56.2 1.0 CA H:TYR64 4.0 56.2 1.0 CE2 H:TYR47 4.1 54.9 1.0 N H:ASN62 4.1 57.0 1.0 C H:ASN62 4.1 66.8 1.0 O H:HOH426 4.2 33.6 1.0 CB H:PRO61 4.3 52.5 1.0 CA H:PRO61 4.4 59.2 1.0 C H:GLY63 4.4 57.0 1.0 CA H:GLY63 4.5 54.1 1.0 N H:ASN65 4.6 55.9 1.0 OE2 H:GLU79 4.6 66.8 0.8 CB H:TYR64 4.7 50.7 1.0 OD1 H:ASN62 4.8 68.4 1.0 CA H:ASN65 5.0 55.7 1.0

W.Awad, J.Rossjohn. Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3,4-Dihydroxybenzaldehyde J.Exp.Med. 2024.
ISSN: ESSN 1540-9538
DOI: 10.1084/JEM.20240896