MolNFT v1 · #147564 · protein
F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101
6EH6 · Human T cell receptor alpha chain: “F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #147564 on GenesisL1: 3D structure, binding sites…
- PDB
- 6EH6
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human T cell receptor alpha chain; Human T cell receptor betachain
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human T cell receptor alpha chain | protein | 202 | 8% helix, 46% strand | — |
| B | Human T cell receptor betachain | protein | 240 | 7% helix, 53% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.73 | 0.77 | 82 | EDO |
| 2 | 101 | 0.41 | 0.77 | 21 | empty |
| 3 | 93 | 0.38 | 0.76 | 17 | EDO |
| 4 | 93 | 0.36 | 0.75 | 21 | empty |
| 5 | 53 | 0.31 | 0.77 | 18 | EDO |
Interfaces
1 interface between chains.
- A–B · 2187 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6EH6 · F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 6EH6 · PDBe 6EH6
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