MolNFT v1 · #147356 · protein
Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant G143S stabilized in the prefusion state
6EAF · Fusion glycoprotein F0: “Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant G143S…”. X-ray diffraction, 2 ligands (NAG, SO4), 15 pockets (best druggability 0.85). MolNFT v1 #147356 on…
- PDB
- 6EAF
- Type
- protein
- Length
- 1,298 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
- 15 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion glycoprotein F0 | protein | 430 | 30% helix, 36% strand | W8RJF9 |
| B | Fusion glycoprotein F0 | protein | 431 | 31% helix, 35% strand | W8RJF9 |
| C | Fusion glycoprotein F0 | protein | 437 | 31% helix, 35% strand | W8RJF9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
- SO4 · Sulfate ion · ion · 19 copies · chains A, B, C
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1177 | 0.85 | 0.86 | 85 | empty |
| 2 | 451 | 0.82 | 0.89 | 57 | empty |
| 3 | 910 | 0.75 | 0.78 | 91 | NHE, SO4 |
| 4 | 816 | 0.72 | 0.77 | 63 | SO4 |
| 5 | 1012 | 0.72 | 0.75 | 70 | SO4 |
Interfaces
3 interfaces between chains.
- B–C · 2281 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 2189 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2124 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 6EAF · 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 6EAF · PDBe 6EAF · UniProt W8RJF9
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