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MolNFT v1 · #186683 · protein

Neoantigen P53R175H-specific TCR 6-11 binds to P53R175H-HLA-A2

7RM4 · HLA class I histocompatibility antigen, a alpha chain: “Neoantigen P53R175H-specific TCR 6-11 binds to P53R175H-HLA-A2”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #186683 on GenesisL1: 3D structure, binding…

PDB
7RM4
Type
protein
Length
3,308 residues
Chains
20
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, a alpha chain; Beta-2-microglobulin; Cellular…
UniProt
P04439, P61769, P04637
Pockets
20 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 11% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, F, K, PHLA class I histocompatibility antigen, a alpha chainprotein27525% helix, 39% strandP04439
B, G, L, QBeta-2-microglobulinprotein1000% helix, 49% strandP61769
C, H, M, RCellular tumor antigen P53 peptideprotein90% helix, 0% strandP04637
D, I, N, S6-11 T cell receptor beta chainprotein2434% helix, 49% strand—
E, J, O, T6-11 T cell receptor alpha chainprotein2005% helix, 48% strand—

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17970.730.7865empty
210020.730.7679empty
311570.720.7692empty
410520.720.7686empty
56130.690.7857empty

Interfaces

36 interfaces between chains.

  • N–O · 2353 Ų buried · 28 hydrogen bonds · protein-protein
  • I–J · 2314 Ų buried · 25 hydrogen bonds · protein-protein
  • D–E · 2284 Ų buried · 24 hydrogen bonds · protein-protein
  • S–T · 2283 Ų buried · 30 hydrogen bonds · protein-protein
  • P–Q · 1451 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide (disulfide).

Compared structures

  • 7RM4 · Neoantigen p53R175H-specific TCR 6-11 binds to p53R175H-HLA-A2 · the same entry in another collection · chain K against K, TM-score 1.00

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