MolNFT v1 · #139506 · protein
Crystal structure of Fab S40 in complex with influenza hemagglutinin, HA1 subunit.
5XHV: “Crystal structure of Fab S40 in complex with influenza hemagglutinin, HA1 subunit.”. X-ray diffraction, 19 pockets (best druggability 0.80). MolNFT v1 #139506 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- 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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