MolNFT v2 · #6102 · protein
Crystal structure analysis of cryzain bound to vinyl sulfone derived inhibitor (IV)
1F2C · Cruzain: “Crystal structure analysis of cryzain bound to vinyl sulfone derived inhibitor (IV)”. X-ray diffraction at 2, 1 ligand (VS4). MolNFT v2 #6102 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1F2C
- Type
- protein
- Length
- 215 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Trypanosoma cruzi
- Molecule
- Cruzain
- EC
- 3.4.22.-
- UniProt
- P25779
- Ligands
- VS4
Structure
x-ray diffraction · resolution 2 · 1 distinct chain · 25% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cruzain (EC 3.4.22.-) | protein | 215 | 25% helix, 24% strand | P25779 |
Ligands and binding sites
- VS4 · 3-[[N-[4-methyl-piperazinyl]carbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonic acid benzyloxy-amide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Modifications
Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1F2C · Crystal structure analysis of cryzain bound to vinyl sulfone derived inhibitor (IV) · the same entry in another collection · chain A against A, TM-score 1.00
- P25779 · AlphaFold monomer V2.0 prediction for cruzipain (P25779) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P25779
- Elsewhere: RCSB PDB 1F2C · PDBe 1F2C · UniProt P25779
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.