HLA-DRB1 in complex with citrullinated histone 2B peptide

Structure

x-ray diffraction · 3 distinct chains · 16% helix, 45% strand (DSSP).

Ligands and binding sites

• CIR · Citrulline · ligand · 2 copies · chains A, B, C
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
• B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–B · 2466 Ų buried · 43 hydrogen bonds · protein-protein
• B–C · 597 Ų buried · 12 hydrogen bonds · protein-protein
• A–C · 536 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent, 3 disulfide, 2 glycan (covalent ligand, disulfide, N-glycosylation).

Compared structures

• 6BIZ · HLA-DRB1 in complex with citrullinated Histone 2B peptide · the same entry in another collection · chain A against A, TM-score 1.00
• P01903 · AlphaFold monomer V2.0 prediction for HLA class II histocompatibility antigen, dr alpha… · a predicted model of the same protein · chain A against A, TM-score 0.96

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P01903
• Every structure of UniProt Q29890
• Elsewhere: RCSB PDB 6BIZ · PDBe 6BIZ · UniProt P01903 · UniProt Q29890