Chlorine in PDB 7umg: Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex

The structure of Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex, PDB code: 7umg 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)	39.24 / 2.40
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	166.495, 166.495, 166.495, 90, 90, 90
R / Rfree (%)	18.5 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex (pdb code 7umg). 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 Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex, PDB code: 7umg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human CD8AA-MR1-Ac-6-Fp Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:85.2 occ:1.00 O A:HOH469 2.5 59.4 1.0 NH1 A:ARG167 3.2 78.1 1.0 CD A:ARG167 4.0 71.3 1.0 CD2 A:TRP164 4.2 36.9 1.0 CE3 A:TRP164 4.2 46.4 1.0 CB A:ALA163 4.3 42.1 1.0 CZ A:ARG167 4.3 74.3 1.0 CE2 A:TRP164 4.3 45.6 1.0 CZ3 A:TRP164 4.3 48.2 1.0 O A:ALA163 4.4 50.3 1.0 CH2 A:TRP164 4.4 46.2 1.0 CZ2 A:TRP164 4.4 45.2 1.0 C A:ALA163 4.5 48.4 1.0 NE A:ARG167 4.6 76.1 1.0 N A:TRP164 4.7 45.2 1.0 CG A:TRP164 4.8 45.1 1.0 NE1 A:TRP164 4.9 43.5 1.0 CA A:TRP164 4.9 45.4 1.0

M.N.T.Souter, W.Awad, S.Li, T.J.Pediongco, B.S.Meehan, L.J.Meehan, Z.Tian, Z.Zhao, H.Wang, A.Nelson, J.Le Nours, Y.Khandokar, T.Praveena, J.Wubben, J.Lin, L.C.Sullivan, G.O.Lovrecz, J.Y.W.Mak, L.Liu, L.Kostenko, K.Kedzierska, A.J.Corbett, D.P.Fairlie, A.G.Brooks, N.A.Gherardin, A.P.Uldrich, Z.Chen, J.Rossjohn, D.I.Godfrey, J.Mccluskey, D.G.Pellicci, S.B.G.Eckle. CD8 Coreceptor Engagement of MR1 Enhances Antigen Responsiveness By Human Mait and Other MR1-Reactive T Cells. J.Exp.Med. V. 219 2022.
ISSN: ESSN 1540-9538
PubMed: 36018322
DOI: 10.1084/JEM.20210828