MolNFT v1 · #183478 · protein
Hantaan virus glycoprotein (gn) in complex with Fab fragment htn-GN1.
7NRH · Fab fragment htn-GN1 heavy chain: “Hantaan virus glycoprotein (gn) in complex with Fab fragment htn-GN1.”. Electron microscopy, 3 ligands (MAN, NAG, BMA), 13 pockets (best druggability 0.71). MolNFT v1 #183478 on GenesisL1: 3D…
- PDB
- 7NRH
- Type
- protein
- Length
- 777 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab fragment htn-GN1 heavy chain; Fab fragment htn-GN1 light chain; Envelope polyprotein
- UniProt
- A0A077D153
- Ligands
- MAN, NAG, BMA
- Pockets
- 13 · best druggability 0.71
Structure
electron microscopy · 3 distinct chains · 8% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Fab fragment htn-GN1 heavy chain | protein | 220 | 3% helix, 48% strand | — |
| L | Fab fragment htn-GN1 light chain | protein | 215 | 8% helix, 53% strand | — |
| A | Envelope polyprotein | protein | 342 | 12% helix, 40% strand | A0A077D153 |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains H, A
- BMA · beta-D-mannopyranose · sugar
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.71 | 0.98 | 15 | empty |
| 2 | 88 | 0.66 | 0.92 | 22 | empty |
| 3 | 254 | 0.66 | 0.83 | 40 | empty |
| 4 | 58 | 0.63 | 0.93 | 19 | empty |
| 5 | 145 | 0.60 | 0.84 | 22 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1670 Ų buried · 11 hydrogen bonds · protein-protein
- H–A · 704 Ų buried · 10 hydrogen bonds · protein-protein
- L–A · 574 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7NRH · Hantaan virus glycoprotein (Gn) in complex with Fab fragment HTN-Gn1. · the same entry in another collection · chain H against H, 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 A0A077D153
- Elsewhere: RCSB PDB 7NRH · PDBe 7NRH · UniProt A0A077D153
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