MolNFT v1 · #125172 · protein
The crystal structure of neuraminidase from A/SHANGHAI/2/2013 (H7N9) influenza virus
5L14: “The crystal structure of neuraminidase from A/SHANGHAI/2/2013 (H7N9) influenza virus”. X-ray diffraction, 4 ligands (MAN, NAG, BMA), 2 pockets (best druggability 0.61). MolNFT v1 #125172 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5L14
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuraminidase
- EC
- 3.2.1.18
- UniProt
- R4NFR6
- Ligands
- MAN, NAG, BMA, CA
- Pockets
- 2 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuraminidase (EC 3.2.1.18) | protein | 388 | 4% helix, 45% strand | R4NFR6 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 6 copies
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- BMA · beta-D-mannopyranose · sugar
- CA · Calcium ion · metal · 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 | 253 | 0.61 | 0.80 | 39 | empty |
| 2 | 54 | 0.36 | 0.80 | 15 | empty |
Modifications
Observed in the structure: 9 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 5L14 · The crystal structure of neuraminidase from A/Shanghai/2/2013 (H7N9) influenza virus · 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 R4NFR6
- Elsewhere: RCSB PDB 5L14 · PDBe 5L14 · UniProt R4NFR6
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