MolNFT v1 · #75217 · protein
Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation TYR342HIS) in complex with lactose
3PJQ: “Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation TYR342HIS) in complex…”. X-ray diffraction, 2 ligands (GLC, GAL), 2 pockets (best druggability 0.65). MolNFT v1 #75217 on GenesisL1: 3D…
- PDB
- 3PJQ
- Type
- protein
- Length
- 626 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Trans-sialidase
- EC
- 3.2.1.18
- UniProt
- Q26966
- Ligands
- GLC, GAL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Trans-sialidase (EC 3.2.1.18) | protein | 626 | 8% helix, 47% strand | Q26966 |
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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.65 | 0.82 | 29 | GAL |
| 2 | 245 | 0.54 | 0.77 | 26 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3PJQ · Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation… · 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 Q26966
- Elsewhere: RCSB PDB 3PJQ · PDBe 3PJQ · UniProt Q26966
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