MolNFT v1 · #120354 · protein
Zika virus NS2B-NS3 protease
5GXJ · FLAVIVIRUS_NS2B,LINKER,PEPTIDASE S7: “Zika virus NS2B-NS3 protease”. X-ray diffraction, 2 pockets (best druggability 0.75). MolNFT v1 #120354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5GXJ
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FLAVIVIRUS_NS2B,LINKER,PEPTIDASE S7
- UniProt
- H9A910
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FLAVIVIRUS_NS2B,LINKER,PEPTIDASE S7 | protein | 160 | 3% helix, 46% strand | H9A910 |
| B | FLAVIVIRUS_NS2B,LINKER,PEPTIDASE S7 | protein | 162 | 2% helix, 46% strand | H9A910 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 659 | 0.75 | 0.81 | 100 | empty |
| 2 | 165 | 0.50 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 890 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5GXJ · Zika Virus NS2B-NS3 protease · 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 H9A910
- Elsewhere: RCSB PDB 5GXJ · PDBe 5GXJ · UniProt H9A910
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