MolNFT v1 · #63351 · protein
Activated toxoplasma gondii cathepsin L (tgcpl) in complex with its propeptide
3F75 · Cathepsin L protease: “Activated toxoplasma gondii cathepsin L (tgcpl) in complex with its propeptide”. X-ray diffraction, 2 ligands (CL, BR), 1 pocket (best druggability 0.28). MolNFT v1 #63351 on GenesisL1: 3D structure, binding…
- PDB
- 3F75
- Type
- protein
- Length
- 298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cathepsin L protease; Cathepsin L propeptide
- EC
- 3.4.22.15
- UniProt
- Q6DMN0
- Ligands
- CL, BR
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cathepsin L protease (EC 3.4.22.15) | protein | 223 | 31% helix, 23% strand | Q6DMN0 |
| P | Cathepsin L propeptide (EC 3.4.22.15) | protein | 75 | 59% helix, 5% strand | Q6DMN0 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, P
- BR · Bromide ion · ion · chains P
- EDO · 1,2-ethanediol · additive · chains P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.28 | 0.74 | 16 | EDO |
Interfaces
1 interface between chains.
- A–P · 1427 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3F75 · Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide · 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 Q6DMN0
- Elsewhere: RCSB PDB 3F75 · PDBe 3F75 · UniProt Q6DMN0
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