MolNFT v1 · #180410 · protein
Powassan virus envelope protein diii in complex with neutralizing Fab powv-80
7KYL · Powv-80 Fab heavy chain: “Powassan virus envelope protein diii in complex with neutralizing Fab powv-80”. X-ray diffraction, 2 ligands (NA, CL), 14 pockets (best druggability 0.66). MolNFT v1 #180410 on GenesisL1: 3D structure…
- PDB
- 7KYL
- Type
- protein
- Length
- 1,068 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Powv-80 Fab heavy chain; Powv-80 Fab light chain; Envelope protein domain III
- UniProt
- Q91LY1
- Ligands
- NA, CL
- Pockets
- 14 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, X | Powv-80 Fab heavy chain | protein | 228 | 8% helix, 50% strand | — |
| L, Y | Powv-80 Fab light chain | protein | 213 | 7% helix, 54% strand | — |
| E, Z | Envelope protein domain III | protein | 93 | 0% helix, 53% strand | Q91LY1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 691 | 0.66 | 0.75 | 73 | empty |
| 2 | 570 | 0.62 | 0.75 | 74 | empty |
| 3 | 411 | 0.61 | 0.77 | 40 | empty |
| 4 | 393 | 0.60 | 0.76 | 40 | empty |
| 5 | 254 | 0.56 | 0.78 | 29 | empty |
Interfaces
7 interfaces between chains.
- H–L · 2017 Ų buried · 15 hydrogen bonds · protein-protein
- X–Y · 2007 Ų buried · 17 hydrogen bonds · protein-protein
- H–E · 654 Ų buried · 12 hydrogen bonds · protein-protein
- X–Z · 650 Ų buried · 9 hydrogen bonds · protein-protein
- L–X · 243 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 2 modified (disulfide, cyclization).
Compared structures
- 7KYL · Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80 · the same entry in another collection · chain H against H, 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 Q91LY1
- Elsewhere: RCSB PDB 7KYL · PDBe 7KYL · UniProt Q91LY1
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