MolNFT v1 · #109103 · protein
Crystal structure of soluble wr PIV5 F-gcnt
4WSG · Fusion glycoprotein F0: “Crystal structure of soluble wr PIV5 F-gcnt”. X-ray diffraction, 1 ligand (NAG), 20 pockets (best druggability 0.78). MolNFT v1 #109103 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WSG
- Type
- protein
- Length
- 1,435 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion glycoprotein F0
- UniProt
- Q9YZA2
- Ligands
- NAG
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Fusion glycoprotein F0 | protein | 479 | 37% helix, 27% strand | Q9YZA2 |
| B | Fusion glycoprotein F0 | protein | 477 | 35% helix, 25% strand | Q9YZA2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1173 | 0.78 | 0.79 | 60 | empty |
| 2 | 1010 | 0.72 | 0.75 | 109 | empty |
| 3 | 486 | 0.69 | 0.79 | 57 | empty |
| 4 | 539 | 0.62 | 0.75 | 53 | empty |
| 5 | 216 | 0.55 | 0.78 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3062 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 2982 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 2923 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 15 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 4WSG · Crystal Structure of Soluble WR PIV5 F-GCNt · 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 Q9YZA2
- Elsewhere: RCSB PDB 4WSG · PDBe 4WSG · UniProt Q9YZA2
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