MolNFT v1 · #158390 · protein
Crystal structure of the A/BRISBANE/10/2007 (H3N2) influenza virus hemagglutinin G186V/L194P mutant in complex with 3'-slnln
6NSF · Hemagglutinin HA1 chain: “Crystal structure of the A/BRISBANE/10/2007 (H3N2) influenza virus hemagglutinin G186V/L194P mutant in…”. X-ray diffraction, 5 ligands (NAG, BMA, MAN), 5 pockets (best druggability 0.56). MolNFT v1 #158390…
- PDB
- 6NSF
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin HA1 chain; Hemagglutinin HA2 chain
- UniProt
- C3PR70, A8W891
- Ligands
- NAG, BMA, MAN, FUL, SIA
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin HA1 chain | protein | 317 | 7% helix, 39% strand | C3PR70 |
| B | Hemagglutinin HA2 chain | protein | 173 | 53% helix, 15% strand | A8W891 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 2 copies
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
- FUL · beta-L-fucopyranose · 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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.56 | 0.89 | 18 | empty |
| 2 | 50 | 0.54 | 0.90 | 17 | empty |
| 3 | 178 | 0.42 | 0.73 | 27 | empty |
| 4 | 54 | 0.31 | 0.76 | 15 | empty |
| 5 | 65 | 0.30 | 0.74 | 15 | SIA |
Interfaces
1 interface between chains.
- A–B · 3035 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 6NSF · Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin… · 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 C3PR70
- Every structure of UniProt A8W891
- Elsewhere: RCSB PDB 6NSF · PDBe 6NSF · UniProt C3PR70 · UniProt A8W891
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