Research workbench
Crystal structure of Fab S40 in complex with influenza hemagglutinin, HA1 subunit.
Analyse Crystal structure of Fab S40 in complex with influenza hemagglutinin, HA1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5XHV
- Type
- protein
- Length
- 1,440 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemagglutinin; S40 heavy chain; S40 light chain
- UniProt
- C3W5X2
- Pockets
- 19 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Hemagglutinin | protein | 283 | 10% helix, 31% strand | C3W5X2 |
| H, P | S40 heavy chain | protein | 223 | 5% helix, 49% strand | — |
| L, Q | S40 light chain | protein | 214 | 5% helix, 48% strand | — |
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.80 | 0.86 | 71 | empty |
| 2 | 431 | 0.80 | 0.88 | 49 | empty |
| 3 | 162 | 0.65 | 0.85 | 27 | empty |
| 4 | 246 | 0.63 | 0.81 | 35 | empty |
| 5 | 359 | 0.55 | 0.74 | 52 | empty |
Interfaces
9 interfaces between chains.
- P–Q · 1981 Ų buried · 12 hydrogen bonds · protein-protein
- H–L · 1859 Ų buried · 10 hydrogen bonds · protein-protein
- E–P · 559 Ų buried · 8 hydrogen bonds · protein-protein
- E–L · 505 Ų buried · 9 hydrogen bonds · protein-protein
- A–H · 499 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 5XHV · Crystal Structure Of Fab S40 In Complex With Influenza Hemagglutinin, HA1 subunit. · 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 C3W5X2
- Elsewhere: RCSB PDB 5XHV · PDBe 5XHV · UniProt C3W5X2
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