MolNFT v1 · #152867 · protein
Crystal structure of 5A scfv in complex with yfv-17D se in postfusion state
6IW0 · Envelope protein E: “Crystal structure of 5A scfv in complex with yfv-17D se in postfusion state”. X-ray diffraction, 7 pockets (best druggability 0.73). MolNFT v1 #152867 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6IW0
- Type
- protein
- Length
- 603 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein E; Heavy chain of monoclonal antibody 5A; Light chain of monoclonal…
- UniProt
- P03314
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelope protein E | protein | 377 | 6% helix, 50% strand | P03314 |
| H | Heavy chain of monoclonal antibody 5A | protein | 120 | 3% helix, 39% strand | — |
| L | Light chain of monoclonal antibody 5A | protein | 106 | 3% helix, 42% strand | — |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.73 | 0.96 | 23 | empty |
| 2 | 351 | 0.64 | 0.79 | 47 | empty |
| 3 | 170 | 0.47 | 0.76 | 22 | empty |
| 4 | 61 | 0.43 | 0.82 | 18 | empty |
| 5 | 92 | 0.41 | 0.78 | 15 | empty |
Interfaces
3 interfaces between chains.
- H–L · 957 Ų buried · 10 hydrogen bonds · protein-protein
- A–H · 768 Ų buried · 5 hydrogen bonds · protein-protein
- A–L · 152 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6IW0 · Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state · 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 P03314
- Elsewhere: RCSB PDB 6IW0 · PDBe 6IW0 · UniProt P03314
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