MolNFT v1 · #30118 · protein
West nile virus envelope protein diii in complex with neutralizing E16 antibody Fab
1ZTX: “West nile virus envelope protein diii in complex with neutralizing E16 antibody Fab”. X-ray diffraction, 7 pockets (best druggability 0.68). MolNFT v1 #30118 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1ZTX
- Type
- protein
- Length
- 532 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein; Heavy chain of E16 antibody; Light chain of E16 antibody
- UniProt
- Q91KZ4
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Envelope protein | protein | 101 | 3% helix, 54% strand | Q91KZ4 |
| H | Heavy chain of E16 antibody | protein | 219 | 5% helix, 55% strand | — |
| L | Light chain of E16 antibody | protein | 212 | 6% helix, 50% strand | — |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.68 | 0.76 | 62 | empty |
| 2 | 55 | 0.43 | 0.83 | 19 | empty |
| 3 | 124 | 0.39 | 0.75 | 25 | empty |
| 4 | 74 | 0.33 | 0.75 | 24 | empty |
| 5 | 62 | 0.31 | 0.75 | 22 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1868 Ų buried · 14 hydrogen bonds · protein-protein
- E–H · 603 Ų buried · 19 hydrogen bonds · protein-protein
- E–L · 299 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1ZTX · West Nile Virus Envelope Protein DIII in complex with neutralizing E16 antibody Fab · the same entry in another collection · chain E against E, 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 Q91KZ4
- Elsewhere: RCSB PDB 1ZTX · PDBe 1ZTX · UniProt Q91KZ4
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