MolNFT v1 · #158732 · protein
Structure of cruzain bound to mmts inhibitor
6O2X · Cruzipain: “Structure of cruzain bound to mmts inhibitor”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.53). MolNFT v1 #158732 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6O2X
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cruzipain
- EC
- 3.4.22.51
- UniProt
- P25779
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 24% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cruzipain (EC 3.4.22.51) | protein | 215 | 24% helix, 24% strand | P25779 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.53 | 0.74 | 46 | EDO |
| 2 | 156 | 0.46 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 256 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 modified (disulfide, methylation).
Compared structures
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 6O2X · PDBe 6O2X · UniProt P25779
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