Chlorine in PDB 8gli: Crystal Structure of Human CD1B in Complex with Mycobacterial C85-Gmm

The structure of Crystal Structure of Human CD1B in Complex with Mycobacterial C85-Gmm, PDB code: 8gli was solved by G.Balaji, J.Rossjohn, A.Shahine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.22 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.234, 76.601, 92.444, 90, 90, 90
R / Rfree (%)	20.6 / 26.7

The structure of Crystal Structure of Human CD1B in Complex with Mycobacterial C85-Gmm also contains other interesting chemical elements:

Iodine

(I)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human CD1B in Complex with Mycobacterial C85-Gmm (pdb code 8gli). 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 CD1B in Complex with Mycobacterial C85-Gmm, PDB code: 8gli:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human CD1B in Complex with Mycobacterial C85-Gmm


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 CD1B in Complex with Mycobacterial C85-Gmm within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:23.9 occ:1.00 N A:LEU191 3.5 28.4 1.0 CA A:TRP190 4.0 25.1 1.0 CB A:LEU191 4.0 25.3 1.0 CG A:LEU191 4.2 28.0 1.0 O A:HOH542 4.2 33.9 1.0 C A:TRP190 4.2 28.4 1.0 CB A:TRP190 4.3 23.4 1.0 CA A:LEU191 4.3 27.5 1.0 O A:LEU191 4.6 24.4 1.0 CD1 A:LEU191 4.7 21.2 1.0 CD1 A:LEU275 4.8 22.3 1.0 C A:LEU191 4.9 30.8 1.0 CD2 A:LEU275 5.0 19.7 1.0

S.Huang, A.Shahine, T.Y.Cheng, Y.L.Chen, S.W.Ng, G.R.Balaji, R.Farquhar, S.Gras, C.S.Hardman, J.D.Altman, N.Tahiri, A.J.Minnaard, G.S.Ogg, J.A.Mayfield, J.Rossjohn, D.B.Moody. CD1 Lipidomes Reveal Lipid-Binding Motifs and Size-Based Antigen-Display Mechanisms Cell(Cambridge,Mass.) V. 186 1 2023.
ISSN: ISSN 0092-8674
DOI: 10.1016/J.CELL.2023.08.022