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Notum fragment 588

Analyse Notum fragment 588 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7B9N
Type
protein
Length
340 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
N9J, NAG, SO4
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APalmitoleoyl-protein carboxylesterase notum (EC 3.1.1.98)protein34034% helix, 17% strandQ6P988

Ligands and binding sites

  • N9J · benzyl hydroxycarbamate · ligand · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 3 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
12040.690.8624N9J
2900.370.7618SO4

Modifications

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

Compared structures

  • 7B9N · Notum Fragment 588 · the same entry in another collection · chain A against A, TM-score 1.00

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