Research workbench
H5 (VN1194) SER227ASN/GLN196ARG mutant haemagglutinin in complex with human receptor analogue 6'SLN
Analyse H5 (VN1194) SER227ASN/GLN196ARG mutant haemagglutinin in complex with human… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CQR
- Type
- protein
- Length
- 483 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1; Hemagglutinin HA2
- UniProt
- Q6DQ34
- Ligands
- NAG, BMA, MAN, GAL, SIA
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 | protein | 321 | 10% helix, 41% strand | Q6DQ34 |
| B | Hemagglutinin HA2 | protein | 162 | 51% helix, 14% strand | Q6DQ34 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 3 copies
- MAN · alpha-D-mannopyranose · sugar
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
- MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.58 | 0.77 | 44 | empty |
| 2 | 65 | 0.43 | 0.82 | 15 | empty |
| 3 | 52 | 0.28 | 0.74 | 13 | empty |
| 4 | 66 | 0.28 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2476 Ų buried · 36 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 4CQR · H5 (VN1194) Ser227Asn/Gln196Arg Mutant Haemagglutinin in Complex with Human Receptor… · 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 Q6DQ34
- Elsewhere: RCSB PDB 4CQR · PDBe 4CQR · UniProt Q6DQ34
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