Calcium in PDB 9cgr: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal, PDB code: 9cgr 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)	46.15 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	216.075, 69.897, 142.444, 90, 103.83, 90
R / Rfree (%)	17.3 / 21.6

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal (pdb code 9cgr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal, PDB code: 9cgr:

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca301 b:91.4 occ:1.00 O H:TYR64 2.3 73.2 1.0 O H:HOH436 2.5 64.7 1.0 O H:HOH414 2.6 75.3 1.0 O H:PRO61 2.7 62.5 1.0 OH H:TYR47 2.8 71.5 1.0 C H:TYR64 3.5 67.0 1.0 C H:PRO61 3.7 61.8 1.0 N H:TYR64 3.8 78.9 1.0 CZ H:TYR47 3.8 58.5 1.0 CE1 H:TYR47 4.0 71.5 1.0 N H:GLY63 4.2 77.0 1.0 CA H:ASN62 4.2 68.9 1.0 ND2 H:ASN65 4.2 80.3 0.5 CA H:TYR64 4.3 67.4 1.0 N H:ASN62 4.3 69.5 1.0 O H:HOH430 4.4 82.2 1.0 CB H:PRO61 4.4 58.3 1.0 C H:ASN62 4.5 75.2 1.0 N H:ASN65 4.6 64.6 1.0 CA H:PRO61 4.6 67.0 1.0 CA H:ASN65 4.8 69.2 0.5 CA H:ASN65 4.8 69.2 0.5 C H:GLY63 4.8 71.9 1.0 CB H:ASN65 4.9 73.1 0.5 CB H:TYR64 5.0 62.9 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