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The structure of the family 40 cbm from C. perfringens nanj in complex with a sialic acid containing molecule

Analyse The structure of the family 40 cbm from C. perfringens nanj in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2V73
Type
protein
Length
365 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative exo-alpha-sialidase
UniProt
Q0TTQ4
Ligands
SIA, CA
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative exo-alpha-sialidaseprotein18313% helix, 45% strandQ0TTQ4
BPutative exo-alpha-sialidaseprotein18212% helix, 43% strandQ0TTQ4

Ligands and binding sites

  • SIA · N-acetyl-alpha-neuraminic acid · sugar · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12030.430.7323empty

Interfaces

1 interface between chains.

  • A–B · 47 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 2V73 · The structure of the family 40 CBM from C. perfringens NanJ in complex with a sialic acid… · the same entry in another collection · chain A against A, TM-score 1.00

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