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Crystal structure of a putative neuraminidase (BACOVA_03493) from bacteroides ovatus atcc 8483 at 1.74 a resolution

Analyse Crystal structure of a putative neuraminidase (BACOVA_03493) from bacteroides… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IRT
Type
protein
Length
398 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
A7M066
Ligands
CL
Pockets
2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein3984% helix, 44% strandA7M066

Ligands and binding sites

  • CL · Chloride ion · ion · 7 copies · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12990.570.7740empty
21240.450.7724empty

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 4IRT · Crystal structure of a putative neuraminidase (BACOVA_03493) from Bacteroides ovatus ATCC… · the same entry in another collection · chain A against A, TM-score 1.00

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