Research workbench
Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza hemagglutinin
Analyse Crystal structure of broadly neutralizing antibody CR9114 bound to H3 influenza… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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