Chlorine in PDB 6puj: Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U, PDB code: 6puj was solved by W.Awad, A.N.Keller, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.77 / 1.92
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	218.607, 70.776, 143.802, 90.00, 104.56, 90.00
R / Rfree (%)	16.3 / 19.4

The structure of Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U 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 MR1-3`Oh- Propyl-5-Op-U (pdb code 6puj). 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 MR1-3`Oh- Propyl-5-Op-U, PDB code: 6puj:
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 MR1-3`Oh- Propyl-5-Op-U


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 MR1-3`Oh- Propyl-5-Op-U within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:41.3 occ:0.78 O A:HOH635 3.1 59.3 1.0 N A:ALA131 3.2 34.7 1.0 CE A:LYS140 3.8 40.6 1.0 O A:TRP129 3.8 42.5 1.0 CD A:LYS140 3.8 42.7 1.0 NZ A:LYS140 3.8 40.3 1.0 CA A:LEU130 3.8 36.4 1.0 CD1 A:LEU130 3.9 42.7 1.0 O A:ALA131 4.0 46.9 1.0 C A:LEU130 4.0 40.6 1.0 CB A:ALA131 4.1 41.1 1.0 CA A:ALA131 4.1 37.5 1.0 C A:ALA131 4.5 46.2 1.0 C A:TRP129 4.7 40.0 1.0 CG A:LEU130 4.7 42.0 1.0 CB A:LEU130 4.7 39.1 1.0 N A:LEU130 4.7 39.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Human Mait A-F7 Tcr in Complex with Human MR1-3`Oh- Propyl-5-Op-U


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 MR1-3`Oh- Propyl-5-Op-U within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:70.7 occ:1.00 O D:HOH349 2.9 49.9 1.0 NH2 C:ARG167 3.0 57.1 1.0 CD C:ARG167 3.5 56.0 1.0 CD2 C:TRP164 4.1 36.0 1.0 CZ C:ARG167 4.1 55.5 1.0 OG D:SER93 4.1 47.7 0.2 CE3 C:TRP164 4.1 38.9 1.0 O C:ALA163 4.2 35.6 1.0 NE C:ARG167 4.3 56.7 1.0 CE2 C:TRP164 4.3 37.5 1.0 C C:ALA163 4.4 36.3 1.0 CZ3 C:TRP164 4.4 38.9 1.0 N C:TRP164 4.4 36.4 1.0 CA C:TRP164 4.5 36.6 1.0 O C:HOH604 4.5 59.5 1.0 CG C:TRP164 4.5 35.4 1.0 CH2 C:TRP164 4.6 36.1 1.0 CZ2 C:TRP164 4.6 38.0 1.0 CB C:ARG167 4.6 48.9 1.0 CB C:ALA163 4.7 36.9 1.0 CG C:ARG167 4.7 54.6 1.0 O D:HOH347 4.8 58.3 1.0 CB D:SER93 4.9 45.0 0.8 NE1 C:TRP164 4.9 37.4 1.0 CB D:SER93 4.9 45.0 0.2 O C:HOH454 4.9 45.5 1.0 CD1 C:TRP164 5.0 35.4 1.0

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