Research workbench
Leech intramolecular trans-sialidase complexed with 2-propenyl-NEU5AC, an inactive substrate analogue
Analyse Leech intramolecular trans-sialidase complexed with 2-propenyl-NEU5AC, an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4SLI
- Type
- protein
- Length
- 679 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intramolecular trans-sialidase
- EC
- 3.2.1.18
- UniProt
- Q27701
- Ligands
- CNP
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Intramolecular trans-sialidase (EC 3.2.1.18) | protein | 679 | 5% helix, 46% strand | Q27701 |
Ligands and binding sites
- CNP · 2-propenyl-N-acetyl-neuraminic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.70 | 0.90 | 29 | empty |
| 2 | 251 | 0.60 | 0.80 | 35 | CNP |
| 3 | 270 | 0.59 | 0.79 | 35 | empty |
| 4 | 193 | 0.46 | 0.74 | 24 | empty |
| 5 | 145 | 0.45 | 0.76 | 19 | empty |
Compared structures
- 4SLI · Leech intramolecular trans-sialidase complexed with 2-propenyl-NEU5AC, an inactive… · the same entry in another collection · chain A against A, TM-score 1.00
- Q27701 · AlphaFold monomer V2.0 prediction for anhydrosialidase (Q27701) · a predicted model of the same protein · 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 Q27701
- Elsewhere: RCSB PDB 4SLI · PDBe 4SLI · UniProt Q27701
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