MolNFT v1 · #168518 · protein
Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin
6WIZ · Hemagglutinin HA1: “Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin”. X-ray diffraction, 1 ligand (NAG), 11 pockets (best druggability 0.52). MolNFT v1 #168518 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6WIZ
- Type
- protein
- Length
- 938 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2; Fab 54-1G05 heavy chain; Fab 54-1G05 light chain
- Ligands
- NAG
- Pockets
- 11 · best druggability 0.52
Structure
x-ray diffraction · 4 distinct chains · 14% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 | protein | 322 | 5% helix, 39% strand | — |
| B | Hemagglutinin HA2 | protein | 173 | 51% helix, 14% strand | — |
| H | Fab 54-1G05 heavy chain | protein | 227 | 5% helix, 50% strand | — |
| L | Fab 54-1G05 light chain | protein | 216 | 6% helix, 47% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.52 | 0.73 | 54 | empty |
| 2 | 185 | 0.51 | 0.77 | 24 | empty |
| 3 | 179 | 0.50 | 0.77 | 32 | empty |
| 4 | 162 | 0.49 | 0.77 | 30 | empty |
| 5 | 52 | 0.48 | 0.86 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2828 Ų buried · 39 hydrogen bonds · protein-protein
- H–L · 1848 Ų buried · 9 hydrogen bonds · protein-protein
- B–L · 586 Ų buried · 13 hydrogen bonds · protein-protein
- B–H · 458 Ų buried · 5 hydrogen bonds · protein-protein
- A–H · 212 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 10 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 6WIZ · Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin · 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
- Elsewhere: RCSB PDB 6WIZ · PDBe 6WIZ
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