MolNFT v1 · #160993 · protein
Inferred precursor (uca) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/BEIJING/262/95(H1N1)
6Q0E: “Inferred precursor (uca) of the human antibody lineage 652 in complex with influenza hemagglutinin head…”. X-ray diffraction, 6 pockets (best druggability 0.62). MolNFT v1 #160993 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Q0E
- Type
- protein
- Length
- 651 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; Fab lambda light chain; Fab heavy chain
- UniProt
- B4UPF7
- Pockets
- 6 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 208 | 11% helix, 38% strand | B4UPF7 |
| L | Fab lambda light chain | protein | 212 | 8% helix, 51% strand | — |
| H | Fab heavy chain | protein | 231 | 8% helix, 48% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains A
- 2PE · Nonaethylene glycol · additive · chains L, H
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 583 | 0.62 | 0.74 | 59 | 2PE |
| 2 | 194 | 0.50 | 0.77 | 34 | GOL |
| 3 | 144 | 0.49 | 0.78 | 22 | empty |
| 4 | 112 | 0.46 | 0.79 | 26 | empty |
| 5 | 164 | 0.44 | 0.75 | 22 | empty |
Interfaces
3 interfaces between chains.
- L–H · 2107 Ų buried · 22 hydrogen bonds · protein-protein
- A–H · 668 Ų buried · 16 hydrogen bonds · protein-protein
- A–L · 55 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 6Q0E · Inferred precursor (UCA) of the human antibody lineage 652 in complex with influenza… · 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 B4UPF7
- Elsewhere: RCSB PDB 6Q0E · PDBe 6Q0E · UniProt B4UPF7
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