Chlorine in PDB 7z50: Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7.

The structure of Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7., PDB code: 7z50 was solved by J.Lopez-Sagaseta, E.Erausquin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.82 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	213.615, 133.457, 102.56, 90, 103.69, 90
R / Rfree (%)	22.1 / 26.1

The structure of Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7. also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7. (pdb code 7z50). 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 the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7., PDB code: 7z50:

Chlorine binding site 1 out of 1 in the Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Highly Diabetogenic 4.1-T Cell Receptor Targeting A Hybrid Insulin Peptide Bound to I-AG7. within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:47.2 occ:1.00 O G:PHE102 2.8 44.7 1.0 O F:GLN40 2.8 55.9 1.0 O F:LEU42 2.9 56.5 1.0 O G:GLY103 3.1 53.4 1.0 C G:GLY103 3.4 53.5 1.0 C G:PHE102 3.6 42.2 1.0 N G:ALA104 3.9 56.7 1.0 C F:LEU42 4.0 55.8 1.0 CA G:GLY103 4.0 43.3 1.0 C F:GLN40 4.1 58.7 1.0 N G:GLY103 4.2 43.0 1.0 CG F:GLU43 4.2 56.4 1.0 CA G:ALA104 4.3 50.3 1.0 OE1 F:GLN40 4.3 84.1 1.0 N F:LEU42 4.3 56.1 1.0 O G:HOH426 4.4 57.6 1.0 CA G:PHE102 4.6 45.9 1.0 CB G:PHE102 4.7 47.6 1.0 C F:GLY41 4.7 56.5 1.0 CA F:LEU42 4.8 61.5 1.0 N F:GLU43 4.8 51.2 1.0 CA F:GLY41 4.8 54.5 1.0 CA F:GLU43 4.9 52.3 1.0 CA F:GLN40 4.9 55.9 1.0 N G:PHE102 4.9 48.1 1.0 N F:GLY41 4.9 52.4 1.0

E.Erausquin, P.Serra, D.Parras, P.Santamaria, J.Lopez-Sagaseta. Structural Plasticity in I-A G7 Links Autoreactivity to Hybrid Insulin Peptides in Type I Diabetes. Front Immunol V. 13 24311 2022.
ISSN: ESSN 1664-3224
PubMed: 35967292
DOI: 10.3389/FIMMU.2022.924311