Chlorine in PDB 9c42: Structure of Human MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr

The structure of Structure of Human MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr, PDB code: 9c42 was solved by C.J.H.Wang, J.Le Nours, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 2.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	215.81, 70.352, 143.434, 90, 104.09, 90
R / Rfree (%)	19.4 / 24.6

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

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Structure of Human MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr (pdb code 9c42). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Human MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr, PDB code: 9c42:

Chlorine binding site 1 out of 1 in the Structure of Human MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr


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 MR1-Ellagic Acid in Complex with Human Mait A-F7 Tcr within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:62.8 occ:1.00 NE1 C:TRP241 4.1 37.6 1.0 CD1 C:LEU231 4.3 36.6 1.0 HO2 F:GOL102 4.3 46.1 1.0 OE1 F:GLN8 4.4 34.9 1.0 O C:HOH409 4.8 39.4 1.0 O2 F:GOL102 4.9 38.8 1.0 CD1 C:TRP241 4.9 35.7 1.0

C.J.H.Wang, J.S.Tang, R.Stephens, S.Faulkner, K.Gell, Y.Li, A.Cait, J.Rossjohn, J.Le Nours, O.Gasser. Ellagic Acid Metabolism As A Source of Dietary MR1 Ligands To Be Published.