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MolNFT v1 · #50882 · protein

Leech intramolecular trans-sialidase complexed with 2,7- anhydro-NEU5AC, the reaction product

2SLI: “Leech intramolecular trans-sialidase complexed with 2,7- anhydro-NEU5AC, the reaction product”. X-ray diffraction, 1 ligand (SKD), 6 pockets (best druggability 0.68). MolNFT v1 #50882 on GenesisL1: 3D structure, binding sites and…

PDB
2SLI
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
SKD
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntramolecular trans-sialidase (EC 3.2.1.18)protein6795% helix, 46% strandQ27701

Ligands and binding sites

  • SKD · 2-acetylamino-7-(1,2-dihydroxy-ethyl)-3-hydroxy-6,8-dioxa-bicyclo[3.2.1]octane-5-carboxylic 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12820.680.8341empty
22710.600.7936empty
32070.560.8034SKD
42030.470.7525empty
5530.280.7521empty

Compared structures

  • 2SLI · Leech intramolecular trans-sialidase complexed with 2,7-anhydro-NEU5AC, the reaction… · 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

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