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Crystal structure of the A/HONG KONG/1/1968 (H3N2) influenza virus hemagglutinin HA1 CYS30, HA2 CYS47 mutant
Analyse Crystal structure of the A/HONG KONG/1/1968 (H3N2) influenza virus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZCJ
- Type
- protein
- Length
- 1,462 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin
- UniProt
- Q91MA7
- Ligands
- NAG, BMA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E | Hemagglutinin | protein | 316 | 10% helix, 41% strand | Q91MA7 |
| B | Hemagglutinin | protein | 172 | 53% helix, 15% strand | Q91MA7 |
| D, F | Hemagglutinin | protein | 171 | 56% helix, 13% strand | Q91MA7 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A, C, E, B
- BMA · beta-D-mannopyranose · sugar · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 925 | 0.87 | 0.89 | 40 | empty |
| 2 | 262 | 0.84 | 0.95 | 28 | empty |
| 3 | 733 | 0.72 | 0.79 | 62 | empty |
| 4 | 659 | 0.71 | 0.78 | 58 | empty |
| 5 | 301 | 0.70 | 0.84 | 47 | empty |
Interfaces
15 interfaces between chains.
- E–F · 2832 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 2815 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2809 Ų buried · 37 hydrogen bonds · protein-protein
- B–D · 1526 Ų buried · 20 hydrogen bonds · protein-protein
- D–F · 1523 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide, 7 glycan (disulfide, N-glycosylation).
Compared structures
- 4ZCJ · Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin HA1… · 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 Q91MA7
- Elsewhere: RCSB PDB 4ZCJ · PDBe 4ZCJ · UniProt Q91MA7
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