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MolNFT v1 · #110024 · protein

Crystal structure of apo nanb sialidase from streptococcus pneumoniae at pH 7.4 in pbs with dmso

4XJZ · Sialidase B: “Crystal structure of apo nanb sialidase from streptococcus pneumoniae at pH 7.4 in pbs with dmso”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.63). MolNFT v1 #110024 on GenesisL1: 3D structure…

PDB
4XJZ
Type
protein
Length
658 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sialidase B
EC
3.2.1.18
UniProt
Q54727
Ligands
PO4
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASialidase B (EC 3.2.1.18)protein6583% helix, 45% strandQ54727

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · 5 copies · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13690.630.7839DMS
23440.620.7928DMS
31960.500.7632DMS
42080.480.7523empty
5770.400.7916empty

Compared structures

  • 4XJZ · Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 7.4 in PBS… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q54727 · AlphaFold monomer V2.0 prediction for sialidase B (Q54727) · a predicted model of the same protein · chain A against A, TM-score 1.00

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