MolNFT v1 · #106804 · protein
Computationally designed three helix bundle
4TQL: “Computationally designed three helix bundle”. X-ray diffraction, 3 pockets (best druggability 0.82). MolNFT v1 #106804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4TQL
- Type
- protein
- Length
- 464 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Three helix bundle
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Three helix bundle | protein | 229 | 93% helix, 0% strand | — |
| B | Three helix bundle | protein | 235 | 91% helix, 0% strand | — |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.82 | 0.86 | 62 | empty |
| 2 | 617 | 0.79 | 0.84 | 56 | empty |
| 3 | 208 | 0.64 | 0.84 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1067 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4TQL · Computationally designed three helix bundle · 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 4TQL · PDBe 4TQL
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