MolNFT v1 · #84731 · protein
Structure of influenza a neutralizing antibody selected from cultures of single human plasma cells in complex with human H1 influenza haemagglutinin.
3ZTN: “Structure of influenza a neutralizing antibody selected from cultures of single human plasma cells in complex…”. X-ray diffraction, 3 ligands (NAG, BMA, SO4), 12 pockets (best druggability 0.67). MolNFT v1 #84731 on GenesisL1: 3D…
- PDB
- 3ZTN
- Type
- protein
- Length
- 823 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haemagglutinin; FI6V3 antibody light chain
- UniProt
- C3W5S1
- Ligands
- NAG, BMA, SO4
- Pockets
- 12 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 15% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haemagglutinin | protein | 327 | 8% helix, 35% strand | C3W5S1 |
| B | Haemagglutinin | protein | 173 | 51% helix, 12% strand | C3W5S1 |
| H | FI6V3 antibody light chain | protein | 173 | 3% helix, 40% strand | — |
| L | FI6V3 antibody light chain | protein | 150 | 0% helix, 35% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, H, B
- BMA · beta-D-mannopyranose · sugar · chains H
- SO4 · Sulfate ion · ion · 5 copies · chains A, H, B, L
- GOL · Glycerol · additive · chains A, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.67 | 0.91 | 28 | empty |
| 2 | 180 | 0.54 | 0.79 | 25 | empty |
| 3 | 126 | 0.51 | 0.81 | 22 | empty |
| 4 | 287 | 0.50 | 0.74 | 42 | empty |
| 5 | 152 | 0.50 | 0.78 | 22 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2776 Ų buried · 39 hydrogen bonds · protein-protein
- H–L · 1185 Ų buried · 12 hydrogen bonds · protein-protein
- B–H · 532 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 252 Ų buried · 3 hydrogen bonds · protein-protein
- B–L · 229 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3ZTN · Structure of influenza a neutralizing antibody selected from cultures of single human… · 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 C3W5S1
- Elsewhere: RCSB PDB 3ZTN · PDBe 3ZTN · UniProt C3W5S1
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