MolNFT v1 · #91896 · protein
Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin
4FQY · Hemagglutinin HA1: “Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin”. X-ray diffraction, 6 pockets (best druggability 0.57). MolNFT v1 #91896 on GenesisL1: 3D structure, binding sites…
- PDB
- 4FQY
- Type
- protein
- Length
- 912 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2; Antibody CR9114 heavy chain; Antibody CR9114 light…
- UniProt
- Q91MA7
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 4 distinct chains · 17% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 | protein | 318 | 10% helix, 41% strand | Q91MA7 |
| B | Hemagglutinin HA2 | protein | 172 | 55% helix, 15% strand | Q91MA7 |
| H | Antibody CR9114 heavy chain | protein | 213 | 6% helix, 52% strand | — |
| L | Antibody CR9114 light chain | protein | 209 | 9% helix, 52% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 343 | 0.57 | 0.76 | 38 | empty |
| 2 | 52 | 0.52 | 0.88 | 19 | empty |
| 3 | 158 | 0.51 | 0.79 | 30 | empty |
| 4 | 264 | 0.49 | 0.74 | 39 | empty |
| 5 | 98 | 0.40 | 0.77 | 20 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2960 Ų buried · 45 hydrogen bonds · protein-protein
- H–L · 1512 Ų buried · 10 hydrogen bonds · protein-protein
- B–H · 625 Ų buried · 11 hydrogen bonds · protein-protein
- A–H · 233 Ų buried · 0 hydrogen bonds · protein-protein
- B–L · 21 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 4FQY · Crystal structure of broadly neutralizing antibody CR9114 bound to H3 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 Q91MA7
- Elsewhere: RCSB PDB 4FQY · PDBe 4FQY · UniProt Q91MA7
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