MolNFT v1 · #157621 · protein
Crystal structure of an equine H7 hemagglutinin from A/EQUINE/NY/49/73 (H7N7)
6N5A · Hemagglutinin HA1 subunit: “Crystal structure of an equine H7 hemagglutinin from A/EQUINE/NY/49/73 (H7N7)”. X-ray diffraction, 2 ligands (NAG, SO4), 4 pockets (best druggability 0.63). MolNFT v1 #157621 on GenesisL1: 3D structure…
- PDB
- 6N5A
- Type
- protein
- Length
- 485 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 subunit; Hemagglutinin HA2 subunit
- UniProt
- A0A348FV55
- Ligands
- NAG, SO4
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 subunit | protein | 315 | 8% helix, 41% strand | A0A348FV55 |
| B | Hemagglutinin HA2 subunit | protein | 170 | 51% helix, 15% strand | A0A348FV55 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
- PGE · Triethylene glycol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.63 | 0.83 | 25 | empty |
| 2 | 79 | 0.41 | 0.79 | 20 | empty |
| 3 | 83 | 0.36 | 0.76 | 14 | empty |
| 4 | 80 | 0.36 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3190 Ų buried · 46 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6N5A · Crystal structure of an equine H7 hemagglutinin from A/equine/NY/49/73 (H7N7) · 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 A0A348FV55
- Elsewhere: RCSB PDB 6N5A · PDBe 6N5A · UniProt A0A348FV55
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