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The structure of HLA-dra, DRB3*0101 (DR52A) with bound platelet integrin peptide associated with fetal and neonatal alloimmune thrombocytopenia

Analyse The structure of HLA-dra, DRB3*0101 (DR52A) with bound platelet integrin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Q6W
Type
protein
Length
758 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class II histocompatibility antigen, dr alpha chain; HLA class II histocompatibility…
UniProt
P01903, P79483, P05106
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 5 distinct chains · 13% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class II histocompatibility antigen, dr alpha chainprotein17914% helix, 47% strandP01903
B, EHLA class II histocompatibility antigen, DRB3-1 beta chainprotein18814% helix, 45% strandP79483
CIntegrin beta-3protein110% helix, 9% strandP05106
DHLA class II histocompatibility antigen, dr alpha chainprotein18013% helix, 48% strandP01903
FIntegrin beta-3protein120% helix, 8% strandP05106

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17100.740.8083empty
22850.620.7939empty
32540.580.7934empty
4950.460.8026empty
5640.280.7317empty

Interfaces

10 interfaces between chains.

  • D–E · 2532 Ų buried · 46 hydrogen bonds · protein-protein
  • A–B · 2413 Ų buried · 47 hydrogen bonds · protein-protein
  • B–C · 676 Ų buried · 20 hydrogen bonds · protein-protein
  • E–F · 654 Ų buried · 17 hydrogen bonds · protein-protein
  • D–F · 562 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2Q6W · The structure of HLA-DRA, DRB3*0101 (DR52a) with bound platelet integrin peptide… · the same entry in another collection · chain F against F, TM-score 1.00
  • P79483 · AlphaFold monomer V2.0 prediction for HLA class II histocompatibility antigen, dr beta 3… · a predicted model of the same protein · chain E against A, TM-score 0.98
  • P01903 · AlphaFold monomer V2.0 prediction for HLA class II histocompatibility antigen, dr alpha… · a predicted model of the same protein · chain D against A, TM-score 0.96

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