Research workbench
Human antibody H1244 in complex with the influenza hemagglutinin head domain of A/BEIJING/262/95(H1N1)
Analyse Human antibody H1244 in complex with the influenza hemagglutinin head domain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q18
- Type
- protein
- Length
- 653 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; H1244 Fab lambda chain; H1244 Fab heavy chain
- UniProt
- B4UPF7
- Ligands
- NAG
- Pockets
- 7 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemagglutinin | protein | 212 | 9% helix, 37% strand | B4UPF7 |
| L | H1244 Fab lambda chain | protein | 210 | 9% helix, 50% strand | — |
| H | H1244 Fab heavy chain | protein | 231 | 7% helix, 49% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 599 | 0.61 | 0.74 | 57 | empty |
| 2 | 162 | 0.48 | 0.77 | 27 | empty |
| 3 | 94 | 0.47 | 0.81 | 25 | empty |
| 4 | 91 | 0.46 | 0.80 | 16 | empty |
| 5 | 78 | 0.32 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1992 Ų buried · 17 hydrogen bonds · protein-protein
- A–H · 994 Ų buried · 34 hydrogen bonds · protein-protein
- A–L · 37 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6Q18 · Human antibody H1244 in complex with the influenza hemagglutinin head domain of… · 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 6Q18 · PDBe 6Q18 · UniProt B4UPF7
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