MolNFT v1 · #159625 · protein
Crystal structure of the unliganded PG10 TCR
6OVO · Alpha chain T-cell receptor PG10: “Crystal structure of the unliganded PG10 TCR”. X-ray diffraction, 2 ligands (SO4, CL), 3 pockets (best druggability 0.72). MolNFT v1 #159625 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6OVO
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha chain T-cell receptor PG10; Beta chain T-cell receptor PG10
- Ligands
- SO4, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha chain T-cell receptor PG10 | protein | 202 | 6% helix, 44% strand | — |
| B | Beta chain T-cell receptor PG10 | protein | 245 | 7% helix, 51% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
- EDO · 1,2-ethanediol · additive · chains A
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 | 1078 | 0.72 | 0.76 | 82 | empty |
| 2 | 94 | 0.37 | 0.75 | 23 | empty |
| 3 | 61 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 2047 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6OVO · Crystal structure of the unliganded PG10 TCR · 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 6OVO · PDBe 6OVO
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