MolNFT v1 · #139117 · protein
Prefusion structure of MERS-cov spike glycoprotein, conformation 2
5X5F · S protein: “Prefusion structure of MERS-cov spike glycoprotein, conformation 2”. Electron microscopy, 20 pockets (best druggability 0.79). MolNFT v1 #139117 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5X5F
- Type
- protein
- Length
- 3,423 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S protein
- UniProt
- W6A028
- Pockets
- 20 · best druggability 0.79
Structure
electron microscopy · 1 distinct chain · 20% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | S protein | protein | 1141 | 20% helix, 22% strand | W6A028 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 498 | 0.79 | 0.86 | 51 | empty |
| 2 | 579 | 0.79 | 0.85 | 53 | empty |
| 3 | 197 | 0.79 | 0.93 | 52 | empty |
| 4 | 280 | 0.77 | 0.89 | 37 | empty |
| 5 | 606 | 0.76 | 0.82 | 52 | empty |
Interfaces
3 interfaces between chains.
- B–C · 5603 Ų buried · 74 hydrogen bonds · protein-protein
- A–B · 5571 Ų buried · 67 hydrogen bonds · protein-protein
- A–C · 4497 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 34 disulfide (disulfide).
Compared structures
- 5X5F · Prefusion structure of MERS-CoV spike glycoprotein, conformation 2 · 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 W6A028
- Elsewhere: RCSB PDB 5X5F · PDBe 5X5F · UniProt W6A028
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