MolNFT v1 · #153163 · protein
Complex structure of mab 4.2-scfv with tick-borne encephalitis virus envelope protein domain III
6J5F: “Complex structure of mab 4.2-scfv with tick-borne encephalitis virus envelope protein domain III”. X-ray diffraction, 2 pockets (best druggability 0.41). MolNFT v1 #153163 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6J5F
- Type
- protein
- Length
- 322 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein; Antibody heavy chain; Antibody light chain
- UniProt
- A0A096YGU7
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelope protein | protein | 94 | 0% helix, 54% strand | A0A096YGU7 |
| H | Antibody heavy chain | protein | 120 | 8% helix, 51% strand | — |
| L | Antibody light chain | protein | 108 | 3% helix, 49% strand | — |
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 | 145 | 0.41 | 0.74 | 30 | empty |
| 2 | 101 | 0.34 | 0.73 | 23 | empty |
Interfaces
3 interfaces between chains.
- H–L · 794 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 378 Ų buried · 10 hydrogen bonds · protein-protein
- A–L · 348 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6J5F · Complex structure of MAb 4.2-scFv with tick-borne encephalitis virus envelope protein… · 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 A0A096YGU7
- Elsewhere: RCSB PDB 6J5F · PDBe 6J5F · UniProt A0A096YGU7
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