MolNFT v1 · #137278 · protein
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/SHANGHAI/2/2013 (H7N9) with lstc
5VJL · Hemagglutinin HA1: “Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/SHANGHAI/2/2013…”. X-ray diffraction, 2 ligands (NAG, SIA), 3 pockets (best druggability 0.62). MolNFT v1 #137278 on…
- PDB
- 5VJL
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2
- UniProt
- R4NN21
- Ligands
- NAG, SIA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 | protein | 314 | 9% helix, 40% strand | R4NN21 |
| B | Hemagglutinin HA2 | protein | 168 | 53% helix, 13% strand | R4NN21 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- MOH · Methanol · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 228 | 0.62 | 0.82 | 25 | empty |
| 2 | 104 | 0.49 | 0.81 | 21 | empty |
| 3 | 126 | 0.48 | 0.79 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 3033 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 5VJL · Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza… · 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 R4NN21
- Elsewhere: RCSB PDB 5VJL · PDBe 5VJL · UniProt R4NN21
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.