MolNFT v1 · #149246 · protein
F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101
6FUQ · Human F11 T-cell receptor: “F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.74). MolNFT v1 #149246 on GenesisL1: 3D structure…
- PDB
- 6FUQ
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Human F11 T-cell receptor; Human F11 T-cell receptor beta chain
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Human F11 T-cell receptor | protein | 202 | 8% helix, 45% strand | — |
| B | Human F11 T-cell receptor beta chain | protein | 240 | 7% helix, 53% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 25 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
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 | 1180 | 0.74 | 0.77 | 83 | EDO, PEG, SO4 |
| 2 | 111 | 0.38 | 0.75 | 23 | EDO |
| 3 | 81 | 0.35 | 0.76 | 19 | empty |
| 4 | 76 | 0.32 | 0.74 | 21 | empty |
| 5 | 56 | 0.31 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2144 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6FUQ · 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 6FUQ · PDBe 6FUQ
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