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MolNFT v1 · #120948 · protein

HLA*A2402 complexed with HIV NEF138 10MER epitope

5HGH · HLA class I histocompatibility antigen, a-24 alpha chain: “HLA*A2402 complexed with HIV NEF138 10MER epitope”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #120948 on GenesisL1: 3D structure, binding sites and…

PDB
5HGH
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, P18801
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, a-24 alpha chainprotein27427% helix, 39% strandP05534
BBeta-2-microglobulinprotein1000% helix, 49% strandP61769
CProtein nefprotein100% helix, 0% strandP18801

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16210.690.7856empty
21330.510.8030empty
31780.470.7630empty
4550.380.8015empty

Interfaces

2 interfaces between chains.

  • A–B · 1324 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 962 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5HGH · HLA*A2402 complexed with HIV nef138 10mer epitope · 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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