MolNFT v1 · #147359 · protein
Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant S398L stabilized in the prefusion state
6EAI · Fusion glycoprotein F0: “Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant S398L…”. X-ray diffraction, 2 ligands (NAG, SO4), 18 pockets (best druggability 0.82). MolNFT v1 #147359 on…
- PDB
- 6EAI
- Type
- protein
- Length
- 1,293 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0
- UniProt
- W8RJF9
- Ligands
- NAG, SO4
- Pockets
- 18 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fusion glycoprotein F0 | protein | 429 | 31% helix, 34% strand | W8RJF9 |
| C | Fusion glycoprotein F0 | protein | 435 | 31% helix, 34% strand | W8RJF9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 6 copies · chains A, C, B
- TAR · D(-)-tartaric acid · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 631 | 0.82 | 0.87 | 68 | empty |
| 2 | 890 | 0.82 | 0.84 | 55 | empty |
| 3 | 734 | 0.75 | 0.80 | 81 | SO4, NHE |
| 4 | 805 | 0.75 | 0.79 | 75 | SO4 |
| 5 | 1040 | 0.74 | 0.77 | 78 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 2232 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 2218 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 2122 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 6EAI · Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor… · 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 W8RJF9
- Elsewhere: RCSB PDB 6EAI · PDBe 6EAI · UniProt W8RJF9
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