MolNFT v1 · #123361 · protein
Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody
5JHL: “Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #123361 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5JHL
- Type
- protein
- Length
- 812 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Envelope protein; Antibody heavy chain; Antibody light chain
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 3 distinct chains · 6% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Envelope protein | protein | 385 | 5% helix, 40% strand | — |
| H | Antibody heavy chain | protein | 216 | 7% helix, 49% strand | — |
| L | Antibody light chain | protein | 211 | 6% helix, 50% strand | — |
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 640 | 0.64 | 0.74 | 60 | empty |
| 2 | 279 | 0.56 | 0.76 | 36 | empty |
| 3 | 181 | 0.55 | 0.79 | 26 | empty |
| 4 | 110 | 0.39 | 0.75 | 21 | empty |
| 5 | 81 | 0.32 | 0.73 | 22 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1801 Ų buried · 13 hydrogen bonds · protein-protein
- A–H · 424 Ų buried · 5 hydrogen bonds · protein-protein
- A–L · 208 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 5JHL · Crystal structure of zika virus envelope protein in complex with a flavivirus… · 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
- Elsewhere: RCSB PDB 5JHL · PDBe 5JHL
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