MolNFT v1 · #6097 · 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, 1 ligand (VS4). MolNFT v1 #6097 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 v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cruzain
- EC
- 3.4.22.-
- UniProt
- P25779
- Ligands
- VS4
Structure
x-ray diffraction · 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
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