MolNFT v1 · #149244 · protein
F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101
6FUO · Human F11 T-cell receptor alpha chain: “F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.73). MolNFT v1 #149244 on GenesisL1: 3D…
- PDB
- 6FUO
- 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 alpha chain; Human F11 T-cell receptor
- Ligands
- SO4
- 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 F11 T-cell receptor alpha chain | protein | 202 | 8% helix, 46% strand | — |
| B | Human F11 T-cell receptor | protein | 240 | 7% helix, 54% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 24 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · chains A, 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 | 1191 | 0.73 | 0.77 | 85 | EDO, PEG |
| 2 | 116 | 0.39 | 0.75 | 22 | EDO, GOL |
| 3 | 100 | 0.38 | 0.76 | 24 | empty |
| 4 | 88 | 0.36 | 0.76 | 22 | EDO |
| 5 | 51 | 0.32 | 0.78 | 17 | PEG |
Interfaces
1 interface between chains.
- A–B · 2149 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6FUO · 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 6FUO · PDBe 6FUO
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