MolNFT v1 · #174488 · protein
Restructuring hemagglutinin-neuraminidase (hn) of newcastle disease virus produced from oryza sativa
7BWU: “Restructuring hemagglutinin-neuraminidase (hn) of newcastle disease virus produced from oryza sativa”. X-ray diffraction, 2 ligands (NAG, CA), 15 pockets (best druggability 0.81). MolNFT v1 #174488 on GenesisL1: 3D structure…
- PDB
- 7BWU
- Type
- protein
- Length
- 1,779 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin-neuraminidase
- UniProt
- I7EFR1
- Ligands
- NAG, CA
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Hemagglutinin-neuraminidase | protein | 444 | 7% helix, 45% strand | I7EFR1 |
| D | Hemagglutinin-neuraminidase | protein | 447 | 7% helix, 44% strand | I7EFR1 |
| A | Hemagglutinin-neuraminidase | protein | 443 | 7% helix, 45% strand | I7EFR1 |
| C | Hemagglutinin-neuraminidase | protein | 445 | 8% helix, 45% strand | I7EFR1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains B, D, A, C
- CA · Calcium ion · metal · 4 copies · chains B, D, A, C
- GOL · Glycerol · additive · 4 copies · chains B, D, A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1066 | 0.81 | 0.82 | 87 | GOL |
| 2 | 55 | 0.70 | 0.98 | 19 | empty |
| 3 | 441 | 0.69 | 0.80 | 41 | empty |
| 4 | 456 | 0.68 | 0.80 | 38 | empty |
| 5 | 446 | 0.67 | 0.79 | 43 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1830 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 1812 Ų buried · 32 hydrogen bonds · protein-protein
- D–C · 554 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 24 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 7BWU · Restructuring hemagglutinin-neuraminidase (HN) of Newcastle disease virus produced from… · the same entry in another collection · chain B against B, 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 I7EFR1
- Elsewhere: RCSB PDB 7BWU · PDBe 7BWU · UniProt I7EFR1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.