MolNFT v1 · #153603 · protein
Crystal structure of mumps virus hemagglutinin-neuraminidase bound to sialyl lewisx
6JJN · Hn protein: “Crystal structure of mumps virus hemagglutinin-neuraminidase bound to sialyl lewisx”. X-ray diffraction, 5 ligands (NAG, GAL, SIA), 9 pockets (best druggability 0.71). MolNFT v1 #153603 on GenesisL1: 3D structure…
- PDB
- 6JJN
- Type
- protein
- Length
- 904 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hn protein
- UniProt
- Q9WAF5
- Ligands
- NAG, GAL, SIA, FUC, SO4
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hn protein | protein | 452 | 8% helix, 44% strand | Q9WAF5 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.71 | 0.97 | 22 | empty |
| 2 | 416 | 0.66 | 0.79 | 47 | GAL, SIA |
| 3 | 380 | 0.66 | 0.80 | 44 | GAL, SIA |
| 4 | 61 | 0.57 | 0.89 | 25 | empty |
| 5 | 156 | 0.53 | 0.80 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1904 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide, 8 glycan (disulfide, N-glycosylation).
Compared structures
- 6JJN · Crystal structure of Mumps virus hemagglutinin-neuraminidase bound to sialyl lewisX · 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 Q9WAF5
- Elsewhere: RCSB PDB 6JJN · PDBe 6JJN · UniProt Q9WAF5
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