MolNFT v1 · #27594 · protein
N9 tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1- acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4- methyl esterdase complexed with
1XOE: “N9 tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1- acetylamino-3-methyl-butyl-pyrrolidine-2…”. X-ray diffraction, 4 ligands (ABX, NAG, MAN), 2 pockets (best druggability 0.62). MolNFT v1 #27594 on GenesisL1: 3D…
- PDB
- 1XOE
- 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
- P03472
- Ligands
- ABX, NAG, MAN, BMA
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase (EC 3.2.1.18) | protein | 387 | 3% helix, 41% strand | P03472 |
Ligands and binding sites
- ABX · 5-[1-(acetylamino)-3-methylbutyl]-4-(methoxycarbonyl)proline · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · 4 copies
- BMA · beta-D-mannopyranose · sugar
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 | 279 | 0.62 | 0.80 | 48 | ABX |
| 2 | 51 | 0.30 | 0.76 | 20 | empty |
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 1XOE · N9 Tern influenza neuraminidase complexed with… · 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 P03472
- Elsewhere: RCSB PDB 1XOE · PDBe 1XOE · UniProt P03472
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