MolNFT v1 · #159039 · protein
Crystal structure of flua-20 Fab in complex with the head domain of H3 (A/HONG KONG/1/1968)
6OCB · Heavy chain of flua-20 Fab: “Crystal structure of flua-20 Fab in complex with the head domain of H3 (A/HONG KONG/1/1968)”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.67). MolNFT v1 #159039 on GenesisL1: 3D…
- PDB
- 6OCB
- Type
- protein
- Length
- 702 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heavy chain of flua-20 Fab; Light chain of flua-20 Fab; Hemagglutinin
- UniProt
- Q91MA7
- Ligands
- NAG
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Heavy chain of flua-20 Fab | protein | 222 | 4% helix, 50% strand | — |
| L | Light chain of flua-20 Fab | protein | 213 | 6% helix, 53% strand | — |
| A | Hemagglutinin | protein | 267 | 12% helix, 39% strand | Q91MA7 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · 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 | 466 | 0.67 | 0.79 | 40 | empty |
| 2 | 582 | 0.62 | 0.74 | 58 | empty |
| 3 | 130 | 0.44 | 0.76 | 19 | empty |
| 4 | 92 | 0.41 | 0.78 | 19 | empty |
| 5 | 124 | 0.41 | 0.75 | 25 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1769 Ų buried · 12 hydrogen bonds · protein-protein
- H–A · 457 Ų buried · 7 hydrogen bonds · protein-protein
- L–A · 262 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 6OCB · Crystal structure of FluA-20 Fab in complex with the head domain of H3 (A/Hong… · the same entry in another collection · chain H against H, 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 Q91MA7
- Elsewhere: RCSB PDB 6OCB · PDBe 6OCB · UniProt Q91MA7
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