MolNFT v1 · #91893 · protein
Crystal structure of broadly neutralizing antibody CR9114 bound to H7 influenza hemagglutinin
4FQV · Hemagglutinin HA1: “Crystal structure of broadly neutralizing antibody CR9114 bound to H7 influenza hemagglutinin”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #91893 on GenesisL1: 3D structure, binding sites…
- PDB
- 4FQV
- Type
- protein
- Length
- 2,737 residues
- Chains
- 12
- 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
- Q6VMK1
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 7 distinct chains · 22% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemagglutinin HA1 | protein | 316 | 9% helix, 41% strand | Q6VMK1 |
| B | Hemagglutinin HA2 | protein | 170 | 52% helix, 12% strand | Q6VMK1 |
| D | Hemagglutinin HA2 | protein | 171 | 52% helix, 12% strand | Q6VMK1 |
| E | Hemagglutinin HA1 | protein | 317 | 9% helix, 42% strand | Q6VMK1 |
| F | Hemagglutinin HA2 | protein | 169 | 53% helix, 12% strand | Q6VMK1 |
| H, I, J | Antibody CR9114 heavy chain | protein | 215 | 4% helix, 53% strand | — |
| L, M, N | Antibody CR9114 light chain | protein | 211 | 9% helix, 51% strand | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.84 | 0.96 | 24 | empty |
| 2 | 182 | 0.82 | 0.97 | 26 | empty |
| 3 | 171 | 0.82 | 0.97 | 25 | empty |
| 4 | 171 | 0.81 | 0.97 | 27 | empty |
| 5 | 297 | 0.79 | 0.91 | 32 | empty |
Interfaces
26 interfaces between chains.
- E–F · 3189 Ų buried · 44 hydrogen bonds · protein-protein
- C–D · 3155 Ų buried · 44 hydrogen bonds · protein-protein
- A–B · 3125 Ų buried · 41 hydrogen bonds · protein-protein
- H–L · 1539 Ų buried · 14 hydrogen bonds · protein-protein
- I–M · 1530 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 disulfide (disulfide).
Compared structures
- 4FQV · Crystal structure of broadly neutralizing antibody CR9114 bound to H7 influenza… · the same entry in another collection · chain E against E, 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 Q6VMK1
- Elsewhere: RCSB PDB 4FQV · PDBe 4FQV · UniProt Q6VMK1
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