Research workbench
Crystal structure of dengue virus 1 NS2B/NS3 protease
Analyse Crystal structure of dengue virus 1 NS2B/NS3 protease in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3L6P
- Type
- protein
- Length
- 196 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fusion protein of nonstructural protein 2B and nonstructural protein 3
- EC
- 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48
- UniProt
- P33478, P17763
- Ligands
- NI, CD, SO4
- Pockets
- 2 · best druggability 0.33
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fusion protein of nonstructural protein 2B and nonstructural protein 3 (EC 3.4.21.91, 3.6.1.15, 3.6.4.13, 2.1.1.56, 2.1.1.57, 2.7.7.48) | protein | 196 | 2% helix, 42% strand | P33478, P17763 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 3 copies · chains A
- CD · Cadmium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 83 | 0.33 | 0.74 | 22 | empty |
| 2 | 52 | 0.27 | 0.74 | 13 | empty |
Compared structures
- 3L6P · Crystal Structure of Dengue Virus 1 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 P33478
- Every structure of UniProt P17763
- Elsewhere: RCSB PDB 3L6P · PDBe 3L6P · UniProt P33478 · UniProt P17763
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