Chlorine 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:

Calcium

(Ca)

1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-Pyridoxal, PDB code: 9cgr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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 A:Cl306 b:74.2 occ:1.00 OP4 A:PXL301 2.8 58.1 0.4 NE A:ARG9 2.9 53.2 1.0 O A:HOH428 3.3 47.7 1.0 NH2 A:ARG9 3.5 60.5 1.0 C5A A:PXL301 3.5 62.6 1.0 CZ A:ARG9 3.6 52.6 1.0 OG A:SER24 3.7 65.3 1.0 CG A:ARG9 3.7 58.1 1.0 O3 A:GOL302 3.8 81.7 1.0 CD A:ARG9 3.9 47.9 1.0 O A:HOH403 3.9 72.9 1.0 CB A:TYR7 3.9 46.8 1.0 NH1 A:ARG94 4.2 52.4 1.0 CZ3 A:TRP69 4.4 65.0 1.0 CE3 A:TRP69 4.5 57.3 1.0 CG A:TYR7 4.6 42.6 1.0 C3 A:GOL302 4.7 69.3 1.0 CD2 A:LEU66 4.7 42.4 1.0 CB A:SER24 4.8 51.2 1.0 NH1 A:ARG9 4.9 53.4 1.0 O A:PHE8 4.9 49.1 1.0 C5 A:PXL301 4.9 58.7 1.0 CD1 A:TYR7 5.0 43.8 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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 C:Cl309 b:75.5 occ:1.00 O1 C:GOL303 2.8 86.9 1.0 OP4 C:PXL301 2.9 86.6 1.0 NE C:ARG9 3.0 54.3 1.0 O C:HOH418 3.4 55.5 1.0 C5A C:PXL301 3.6 79.7 1.0 NH2 C:ARG9 3.6 66.8 1.0 CG C:ARG9 3.7 45.3 1.0 CZ C:ARG9 3.7 59.7 1.0 OG C:SER24 3.8 70.2 1.0 CD C:ARG9 3.9 50.6 1.0 CB C:TYR7 4.0 41.6 1.0 C1 C:GOL303 4.1 77.4 1.0 NH1 C:ARG94 4.2 46.5 1.0 O C:PHE8 4.5 52.2 1.0 CE3 C:TRP69 4.5 72.7 1.0 CZ3 C:TRP69 4.6 82.5 1.0 CG C:TYR7 4.7 53.9 1.0 CD2 C:LEU66 4.8 56.2 1.0 CB C:SER24 4.9 45.7 1.0 C5 C:PXL301 4.9 74.2 1.0 NH1 C:ARG9 5.0 48.9 1.0 C C:PHE8 5.0 50.1 1.0 C C:TYR7 5.0 46.2 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