MolNFT v1 · #132352 · protein
HUMRADA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mm
5QUE: “HUMRADA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mm”. X-ray diffraction, 2 ligands (D48, PO4), 1 pocket (best druggability 0.33). MolNFT v1 #132352 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5QUE
- Type
- protein
- Length
- 222 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rada
- Ligands
- D48, PO4
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rada | protein | 222 | 38% helix, 26% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 67 | 0.33 | 0.76 | 17 | PO4 |
Compared structures
- 5QUE · HumRadA1.2 soaked with napht-2,3-diol for 10 minutes at 20 mM · 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 5QUE · PDBe 5QUE
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