MolNFT v1 · #147361 · protein
Crystal structure of fusion inhibitor jnj-2408068 in complex with human respiratory syncytial virus fusion glycoprotein escape variant T400A stabilized in the prefusion state
6EAK · Fusion glycoprotein F0: “Crystal structure of fusion inhibitor jnj-2408068 in complex with human respiratory syncytial virus fusion…”. X-ray diffraction, 3 ligands (5NK, NI, SO4), 2 pockets (best druggability 0.46). MolNFT v1…
- PDB
- 6EAK
- Type
- protein
- Length
- 438 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0
- UniProt
- W8RJF9
- Ligands
- 5NK, NI, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Fusion glycoprotein F0 | protein | 438 | 30% helix, 34% strand | W8RJF9 |
Ligands and binding sites
- 5NK · 2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol · ligand · chains F
- NI · Nickel (II) ion · metal · chains F
- SO4 · Sulfate ion · ion · 6 copies · chains F
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 182 | 0.46 | 0.75 | 23 | empty |
| 2 | 53 | 0.27 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 6EAK · Crystal structure of fusion inhibitor jnj-2408068 in complex with human respiratory… · the same entry in another collection · chain F against F, 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 6EAK · PDBe 6EAK · UniProt W8RJF9
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