Research workbench
HA1.7 TCR study of cdr loop flexibility
Analyse HA1.7 TCR study of cdr loop flexibility in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FR5
- Type
- protein
- Length
- 446 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TCR HA1.7 specific for flu epitope pkyvkqntlklat, alpha chain; TCR HA1.7 specific for flu…
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TCR HA1.7 specific for flu epitope pkyvkqntlklat, alpha chain | protein | 202 | 5% helix, 46% strand | — |
| B | TCR HA1.7 specific for flu epitope pkyvkqntlklat, beta chain | protein | 244 | 7% helix, 50% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 16 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- ACT · Acetate ion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.71 | 0.75 | 85 | EDO, GOL |
| 2 | 68 | 0.34 | 0.76 | 16 | GOL |
| 3 | 56 | 0.34 | 0.77 | 13 | empty |
| 4 | 60 | 0.33 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2180 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6FR5 · HA1.7 TCR Study of CDR Loop Flexibility · 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 6FR5 · PDBe 6FR5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.