MolNFT v1 · #90816 · protein
The complex between TCR JKF6 and human class I MHC HLA-A2 presenting the mart-1(27-35)(A27L) peptide
4EUP · HLA class I histocompatibility antigen, a-2 alpha chain: “The complex between TCR JKF6 and human class I MHC HLA-A2 presenting the mart-1(27-35)(A27L) peptide”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 4EUP
- Type
- protein
- Length
- 1,633 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Melanoma…
- UniProt
- P01892, P61769, Q16655
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 14% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 265 | 28% helix, 38% strand | P01892 |
| E, B | Beta-2-microglobulin | protein | 100 | 0% helix, 51% strand | P61769 |
| F, C | Melanoma antigen recognized by T-cells 1 | protein | 9 | 0% helix, 11% strand | Q16655 |
| H | JKF6 beta chain | protein | 241 | 7% helix, 51% strand | — |
| A | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 267 | 27% helix, 39% strand | P01892 |
| G, I | JKF6 alpha chain | protein | 201 | 1% helix, 45% strand | — |
| J | JKF6 beta chain | protein | 240 | 8% helix, 52% strand | — |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.78 | 0.80 | 95 | empty |
| 2 | 1090 | 0.71 | 0.75 | 87 | empty |
| 3 | 279 | 0.69 | 0.84 | 37 | empty |
| 4 | 198 | 0.68 | 0.86 | 35 | empty |
| 5 | 512 | 0.66 | 0.78 | 49 | empty |
Interfaces
17 interfaces between chains.
- H–G · 2116 Ų buried · 24 hydrogen bonds · protein-protein
- I–J · 2068 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1445 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1435 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 847 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 4EUP · The complex between TCR JKF6 and human Class I MHC HLA-A2 presenting the… · the same entry in another collection · chain J against J, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain E against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P01892
- Every structure of UniProt P61769
- Every structure of UniProt Q16655
- Elsewhere: RCSB PDB 4EUP · PDBe 4EUP · UniProt P01892 · UniProt P61769 · UniProt Q16655
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