GL1X · GenesisL1 explorer

MolNFT v1 · #137691 · protein

HLA-B*57:03 presenting ltvqvarvw

5VWD · MHC class I antigen: “HLA-B*57:03 presenting ltvqvarvw”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT v1 #137691 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5VWD
Type
protein
Length
384 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MHC class I antigen; Beta-2-microglobulin; Noamer peptide…
UniProt
I3ZN84, P61769
Pockets
4 · best druggability 0.67

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AMHC class I antigenprotein27627% helix, 39% strandI3ZN84
BBeta-2-microglobulinprotein990% helix, 49% strandP61769
CNoamer peptide: leu-thr-val-gln-val-ala-arg-val-TRPprotein90% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16030.670.7754empty
21140.460.7925empty
3830.420.7923empty
4690.360.7714empty

Interfaces

2 interfaces between chains.

  • A–B · 1340 Ų buried · 23 hydrogen bonds · protein-protein
  • A–C · 914 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5VWD · HLA-B*57:03 presenting LTVQVARVW · 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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