Iodine in PDB 6pbh: Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide

The structure of Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide, PDB code: 6pbh was solved by S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.67 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.750, 79.004, 112.651, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.4

The structure of Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Iodine atom in the Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide (pdb code 6pbh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide, PDB code: 6pbh:

Iodine binding site 1 out of 1 in the Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Hla-A*68:01 in Complex with NP145-156, A 12 Mer Influenza Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:49.9 occ:1.00 NE2 A:HIS3 2.4 27.1 1.0 O A:HOH563 2.8 38.5 1.0 O A:GLY1 2.9 37.2 1.0 N A:GLY1 3.0 38.4 1.0 CD2 A:HIS3 3.2 27.6 1.0 CE1 A:HIS3 3.6 26.9 1.0 C A:GLY1 3.6 37.9 1.0 CA A:GLY1 3.6 37.7 1.0 NE2 A:GLN180 3.6 43.7 1.0 CG A:HIS3 4.4 25.8 1.0 ND1 A:HIS3 4.6 27.2 1.0 CD A:GLN180 4.7 51.3 1.0 N A:SER2 4.7 32.4 1.0 CG A:GLN180 4.9 34.0 1.0 CA A:SER105 5.0 39.7 1.0

C.E.Van De Sandt, E.B.Clemens, E.J.Grant, L.C.Rowntree, S.Sant, H.Halim, J.Crowe, A.C.Cheng, A.C.Cheng, T.C.Kotsimbos, M.Richards, A.Miller, S.Y.Tong, J.Rossjohn, T.H.O.Nguyen, S.Gras, W.Z.Chen, K.Kedzierska. Immunodominance Potential of Influenza-Specific CD8+ T-Cells Presented By A Risk-Associated Hla-A*68:01 Allomorph Nat Commun 2019.
ISSN: ESSN 2041-1723