Research workbench
Crystal structure of chimeric hemagglutinin CH15/3 in complex with broad protective antibodies 31.A.83 and flua-20
Analyse Crystal structure of chimeric hemagglutinin CH15/3 in complex with broad… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7U8M
- Type
- protein
- Length
- 4,103 residues
- Chains
- 18
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 subunit; Hemagglutinin HA2 subunit; Antibody 31.A.83 Fab light chain…
- UniProt
- A0A2Z4LK48
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 10 distinct chains · 13% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G | Hemagglutinin HA1 subunit | protein | 322 | 8% helix, 35% strand | — |
| B, I | Hemagglutinin HA2 subunit | protein | 173 | 51% helix, 14% strand | A0A2Z4LK48 |
| L, E, J | Antibody 31.A.83 Fab light chain | protein | 213 | 4% helix, 46% strand | — |
| H, F, K | Antibody 31.A.83 Fab heavy chain | protein | 226 | 5% helix, 46% strand | — |
| C | Hemagglutinin HA1 subunit | protein | 321 | 8% helix, 34% strand | — |
| D | Hemagglutinin HA2 subunit | protein | 172 | 52% helix, 15% strand | A0A2Z4LK48 |
| N | Antibody flua-20 Fab heavy chain | protein | 222 | 4% helix, 50% strand | — |
| O, R, U | Antibody flua-20 Fab light chain | protein | 213 | 6% helix, 53% strand | — |
| Q | Antibody flua-20 Fab heavy chain | protein | 221 | 4% helix, 50% strand | — |
| T | Antibody flua-20 Fab heavy chain | protein | 221 | 4% helix, 50% 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 | 461 | 0.85 | 0.92 | 37 | empty |
| 2 | 833 | 0.84 | 0.87 | 96 | empty |
| 3 | 289 | 0.84 | 0.94 | 35 | empty |
| 4 | 672 | 0.82 | 0.86 | 72 | empty |
| 5 | 564 | 0.80 | 0.86 | 90 | empty |
Interfaces
51 interfaces between chains.
- A–B · 2797 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 2795 Ų buried · 29 hydrogen bonds · protein-protein
- G–I · 2733 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 1922 Ų buried · 18 hydrogen bonds · protein-protein
- J–K · 1909 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 42 disulfide (disulfide).
Compared structures
- 7U8M · Crystal structure of chimeric hemagglutinin cH15/3 in complex with broad protective… · 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 A0A2Z4LK48
- Elsewhere: RCSB PDB 7U8M · PDBe 7U8M · UniProt A0A2Z4LK48
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