MolNFT v1 · #152319 · protein
Crystal structure of H7 hemagglutinin mutant H7-svtq ( A138S, P221T, L226Q) with 3'SLN
6IDZ · Hemagglutinin HA1 chain: “Crystal structure of H7 hemagglutinin mutant H7-svtq ( A138S, P221T, L226Q) with 3'SLN”. X-ray diffraction, 3 ligands (NAG, GAL, SIA), 4 pockets (best druggability 0.63). MolNFT v1 #152319 on GenesisL1: 3D…
- PDB
- 6IDZ
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- UniProt
- R4NN21
- Ligands
- NAG, GAL, SIA
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 chain | protein | 317 | 9% helix, 40% strand | R4NN21 |
| B | Hemagglutinin HA2 chain | protein | 162 | 53% helix, 12% strand | R4NN21 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · chains A
- SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
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 | 229 | 0.63 | 0.82 | 25 | empty |
| 2 | 98 | 0.47 | 0.80 | 21 | empty |
| 3 | 54 | 0.40 | 0.82 | 18 | empty |
| 4 | 50 | 0.27 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3161 Ų buried · 47 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6IDZ · Crystal structure of H7 hemagglutinin mutant H7-SVTQ ( A138S, P221T, L226Q) with 3'SLN · 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 R4NN21
- Elsewhere: RCSB PDB 6IDZ · PDBe 6IDZ · UniProt R4NN21
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