MolNFT v1 · #55571 · protein
West nile virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-lys-lys-gcma
2YOL · Serine protease subunit NS2B, serine protease NS3: “West nile virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-lys-lys-gcma”. X-ray diffraction, 3 ligands (EBN, NI, CL), 1 pocket (best druggability 0.53). MolNFT v1…
- PDB
- 2YOL
- Type
- protein
- Length
- 212 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serine protease subunit NS2B, serine protease NS3
- EC
- 3.4.21.91, 3.6.1.15, 3.6.4.13
- UniProt
- P06935
- Ligands
- EBN, NI, CL
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serine protease subunit NS2B, serine protease NS3 (EC 3.4.21.91, 3.6.1.15, 3.6.4.13) | protein | 212 | 3% helix, 45% strand | P06935 |
Ligands and binding sites
- EBN · (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.53 | 0.82 | 23 | empty |
Compared structures
- 2YOL · West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA · 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 P06935
- Elsewhere: RCSB PDB 2YOL · PDBe 2YOL · UniProt P06935
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.