MolNFT v1 · #39435 · protein
N4 neuraminidase in complex with dana
2HTW: “N4 neuraminidase in complex with dana”. X-ray diffraction, 1 ligand (DAN), 1 pocket (best druggability 0.61). MolNFT v1 #39435 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HTW
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- UniProt
- Q6XV46
- Ligands
- DAN
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase | protein | 388 | 2% helix, 38% strand | Q6XV46 |
Ligands and binding sites
- DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.61 | 0.80 | 39 | DAN |
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 2HTW · N4 neuraminidase in complex with DANA · 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 Q6XV46
- Elsewhere: RCSB PDB 2HTW · PDBe 2HTW · UniProt Q6XV46
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