Chlorine in PDB 6puc: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru, PDB code: 6puc 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)	48.34 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	217.967, 70.248, 143.634, 90.00, 104.81, 90.00
R / Rfree (%)	15.9 / 17.8

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru (pdb code 6puc). 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 MR1-5-Op-Ru, PDB code: 6puc:
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 MR1-5-Op-Ru


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 MR1-5-Op-Ru within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:70.3 occ:1.00 NE A:ARG1 2.9 51.2 1.0 O A:HOH480 3.0 40.1 1.0 O A:HOH437 3.2 38.9 1.0 CE1 A:HIS3 3.3 37.4 1.0 CD A:ARG1 3.6 64.5 1.0 CZ A:ARG1 3.7 43.6 1.0 NH2 A:ARG1 3.7 40.5 1.0 ND1 A:HIS3 3.8 34.9 1.0 CB A:PRO207 3.8 31.5 1.0 O A:HOH506 3.8 41.8 1.0 CB A:ARG1 3.9 51.5 1.0 O A:LEU176 3.9 33.2 1.0 O A:THR2 4.0 32.4 1.0 CG A:PRO207 4.0 34.8 1.0 NE2 A:HIS3 4.1 37.6 1.0 OD2 A:ASP29 4.2 36.1 1.0 CG A:ARG1 4.3 60.8 1.0 OE1 A:GLU209 4.6 34.0 1.0 CG A:HIS3 4.8 28.6 1.0 CG A:ASP29 4.8 40.0 1.0 NH1 A:ARG1 4.9 46.1 1.0 O A:HOH579 4.9 39.3 1.0 CD2 A:HIS3 5.0 36.3 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-5-Op-Ru


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 MR1-5-Op-Ru within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl103 b:41.5 occ:1.00 NZ F:LYS91 3.1 33.2 1.0 CG2 F:THR4 4.1 27.5 1.0 CE F:LYS91 4.2 34.1 1.0 O F:HOH232 4.4 29.1 1.0 O F:HOH278 4.6 49.6 1.0 OG1 F:THR4 4.8 31.4 1.0

W.Awad, J.Rossjohn. The Molecular Basis Underpinning the Potency and Specificity of Mait Cell Antigens To Be Published.