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MolNFT v1 · #153889 · protein

Crystal structure of HLA-C08 in complex with a tumor MUT10M peptide

6JTN · HLA class I antigen, CW8.2 alpha chain: “Crystal structure of HLA-C08 in complex with a tumor MUT10M peptide”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #153889 on GenesisL1: 3D structure, binding sites and…

PDB
6JTN
Type
protein
Length
381 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I antigen, CW8.2 alpha chain; Beta-2-microglobulin; 10-mer peptide
UniProt
C1K0Y1, P61769
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I antigen, CW8.2 alpha chainprotein27329% helix, 40% strandC1K0Y1
BBeta-2-microglobulinprotein980% helix, 50% strandP61769
C10-mer peptideprotein100% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15940.680.7750empty
21590.500.7832empty
31510.460.7624empty

Interfaces

2 interfaces between chains.

  • A–B · 1197 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 781 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6JTN · Crystal structure of HLA-C08 in complex with a tumor mut10m peptide · 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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