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Notum fragment 658

Analyse Notum fragment 658 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BC8
Type
protein
Length
341 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Palmitoleoyl-protein carboxylesterase notum
EC
3.1.1.98
UniProt
Q6P988
Ligands
TAH, NAG, SO4
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APalmitoleoyl-protein carboxylesterase notum (EC 3.1.1.98)protein34135% helix, 18% strandQ6P988

Ligands and binding sites

  • TAH · 2-(benzyloxy)benzohydrazide · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12900.780.8931EDO, TAH

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7BC8 · Notum Fragment 658 · the same entry in another collection · chain A against A, TM-score 1.00

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