MolNFT v1 · #117507 · protein
Crystal structure of inhibitor bta-9881 in complex with prefusion rsv F glycoprotein
5EA6 · Fusion glycoprotein F0: “Crystal structure of inhibitor bta-9881 in complex with prefusion rsv F glycoprotein”. X-ray diffraction, 2 ligands (5NP, SO4), 2 pockets (best druggability 0.28). MolNFT v1 #117507 on GenesisL1: 3D…
- PDB
- 5EA6
- Type
- protein
- Length
- 422 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0
- UniProt
- P03420
- Ligands
- 5NP, SO4
- Pockets
- 2 · best druggability 0.28
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Fusion glycoprotein F0 | protein | 422 | 30% helix, 35% strand | P03420 |
Ligands and binding sites
- 5NP · (9~{b}~{R})-9~{b}-(4-chlorophenyl)-1-pyridin-3-ylcarbonyl-2,3-dihydroimidazo[5,6]pyrrolo[1,2-~{a}]pyridin-5-one · ligand · chains F
- SO4 · Sulfate ion · ion · 4 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 | 52 | 0.28 | 0.75 | 15 | empty |
| 2 | 52 | 0.28 | 0.75 | 13 | empty |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 5EA6 · Crystal Structure of Inhibitor BTA-9881 in Complex with Prefusion RSV F Glycoprotein · 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 P03420
- Elsewhere: RCSB PDB 5EA6 · PDBe 5EA6 · UniProt P03420
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