MolNFT v1 · #147562 · protein
003 human T-cell receptor specific for HIV gag epitope slyntvatl carried by human leukocyte antigen HLA-A*0201
6EH4 · Human T cell receptor alpha chain: “003 human T-cell receptor specific for HIV gag epitope slyntvatl carried by human leukocyte antigen HLA-A*0201”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #147562 on…
- PDB
- 6EH4
- Type
- protein
- Length
- 448 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 beta chain
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Human T cell receptor alpha chain | protein | 204 | 5% helix, 47% strand | — |
| E | Human T cell receptor beta chain | protein | 244 | 7% helix, 50% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains D, E
- GOL · Glycerol · additive · 3 copies · chains D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1147 | 0.71 | 0.75 | 93 | GOL, EDO |
| 2 | 56 | 0.34 | 0.78 | 17 | empty |
| 3 | 60 | 0.30 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- D–E · 2163 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6EH4 · 003 Human T-Cell Receptor specific for HIV GAG epitope SLYNTVATL carried by Human… · the same entry in another collection · chain D against D, 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 6EH4 · PDBe 6EH4
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