MolNFT v1 · #159089 · protein
Prefusion rsv F monomer bound by neutralizing antibody CR9501
6OE4 · Fusion glycoprotein F0: “Prefusion rsv F monomer bound by neutralizing antibody CR9501”. X-ray diffraction, 16 pockets (best druggability 0.61). MolNFT v1 #159089 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6OE4
- Type
- protein
- Length
- 1,732 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0; CR9501 Fab light chain; CR9501 Fab heavy chain
- UniProt
- P03420
- Pockets
- 16 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion glycoprotein F0 | protein | 428 | 29% helix, 35% strand | P03420 |
| D | Fusion glycoprotein F0 | protein | 430 | 30% helix, 35% strand | P03420 |
| C, F | CR9501 Fab light chain | protein | 212 | 6% helix, 50% strand | — |
| B, E | CR9501 Fab heavy chain | protein | 225 | 9% helix, 52% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains D, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 591 | 0.61 | 0.74 | 64 | empty |
| 2 | 521 | 0.60 | 0.74 | 56 | empty |
| 3 | 277 | 0.53 | 0.75 | 33 | empty |
| 4 | 247 | 0.51 | 0.75 | 35 | empty |
| 5 | 60 | 0.48 | 0.86 | 21 | empty |
Interfaces
7 interfaces between chains.
- E–F · 1994 Ų buried · 21 hydrogen bonds · protein-protein
- C–B · 1979 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 602 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 595 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 593 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 26 disulfide (disulfide).
Compared structures
- 6OE4 · Prefusion RSV F monomer bound by neutralizing antibody CR9501 · 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 P03420
- Elsewhere: RCSB PDB 6OE4 · PDBe 6OE4 · UniProt P03420
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