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HLA-A24 in complex with HIV-1 NEF126-10(8I10F)

Analyse HLA-A24 in complex with HIV-1 NEF126-10(8I10F) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3WL9
Type
protein
Length
384 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, a-24 alpha chain; Beta-2-microglobulin; Protein…
UniProt
P05534, P61769, Q9Q5D4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, a-24 alpha chainprotein27428% helix, 40% strandP05534
BBeta-2-microglobulinprotein1000% helix, 49% strandP61769
CProtein nefprotein100% helix, 0% strandQ9Q5D4

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16200.680.7759empty
2730.670.9321empty
31630.500.7826empty
4770.400.7821empty
5670.350.7715empty

Interfaces

2 interfaces between chains.

  • A–B · 1417 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 904 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 3WL9 · HLA-A24 in complex with HIV-1 Nef126-10(8I10F) · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98

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