MolNFT v1 · #40221 · protein
Crystal structure of the west nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor
2IJO · Polyprotein: “Crystal structure of the west nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor”. X-ray diffraction, 2 pockets (best druggability 0.49). MolNFT v1 #40221 on GenesisL1: 3D structure…
- PDB
- 2IJO
- Type
- protein
- Length
- 265 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyprotein; Pancreatic trypsin inhibitor
- EC
- 3.4.21.91
- UniProt
- Q203W3, P00974
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyprotein (EC 3.4.21.91) | protein | 41 | 0% helix, 44% strand | Q203W3 |
| B | Polyprotein (EC 3.4.21.91) | protein | 168 | 2% helix, 46% strand | Q203W3 |
| I | Pancreatic trypsin inhibitor | protein | 56 | 27% helix, 29% strand | P00974 |
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 | 184 | 0.49 | 0.76 | 26 | empty |
| 2 | 132 | 0.42 | 0.75 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2083 Ų buried · 33 hydrogen bonds · protein-protein
- B–I · 683 Ų buried · 15 hydrogen bonds · protein-protein
- A–I · 130 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2IJO · Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine… · the same entry in another collection · chain A against A, TM-score 1.00
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.97
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 Q203W3
- Every structure of UniProt P00974
- Elsewhere: RCSB PDB 2IJO · PDBe 2IJO · UniProt Q203W3 · UniProt P00974
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.