MolNFT v1 · #39433 · protein
N8 neuraminidase in complex with peramivir
2HTU: “N8 neuraminidase in complex with peramivir”. X-ray diffraction, 1 ligand (BCZ), 2 pockets (best druggability 0.66). MolNFT v1 #39433 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HTU
- Type
- protein
- Length
- 387 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- EC
- 3.2.1.18
- UniProt
- Q07599
- Ligands
- BCZ
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase (EC 3.2.1.18) | protein | 387 | 3% helix, 46% strand | Q07599 |
Ligands and binding sites
- BCZ · 3-(1-acetylamino-2-ethyl-butyl)-4-guanidino-2-hydroxy-cyclopentanecarboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.66 | 0.82 | 48 | BCZ |
| 2 | 58 | 0.29 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2HTU · N8 neuraminidase in complex with peramivir · 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
- Every structure of UniProt Q07599
- Elsewhere: RCSB PDB 2HTU · PDBe 2HTU · UniProt Q07599
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.