MolNFT v2 · #122371 · protein
Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor
5IDK: “Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor”. X-ray diffraction at 1.5, 1 ligand (6A8). MolNFT v2 #122371 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IDK
- Type
- protein
- Length
- 613 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- West Nile virus
- UniProt
- P06935
- Ligands
- 6A8
Structure
x-ray diffraction · resolution 1.5 · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 204 | — | P06935 |
| B | — | protein | 204 | — | P06935 |
| C | — | protein | 205 | — | P06935 |
Ligands and binding sites
- 6A8 · ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol · ligand · 3 copies · chains A, B, C
- DMS · Dimethyl sulfoxide · additive · chains B
- GOL · Glycerol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5IDK · Crystal structure of west nile virus NS2B-NS3 protease in complex with a capped dipeptide… · 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 5IDK · PDBe 5IDK · UniProt P06935
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