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Wild-type formylglycine generating enzyme reacted with iodoacetamide

Analyse Wild-type formylglycine generating enzyme reacted with iodoacetamide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AII
Type
protein
Length
274 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sulfatase modifying factor 1
UniProt
Q8NBK3
Ligands
ACM, NAG, CA
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XSulfatase modifying factor 1protein27416% helix, 22% strandQ8NBK3

Ligands and binding sites

  • ACM · Acetamide · ligand · chains X
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains X
  • CA · Calcium ion · metal · 2 copies · chains X

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
11710.580.8123ACM
21090.490.8021empty

Modifications

Observed in the structure: 2 disulfide, 1 covalent, 1 glycan (disulfide, covalent ligand, N-glycosylation).

Compared structures

  • 2AII · wild-type Formylglycine generating enzyme reacted with iodoacetamide · the same entry in another collection · chain X against X, TM-score 1.00
  • Q8NBK3 · AlphaFold monomer V2.0 prediction for formylglycine-generating enzyme (Q8NBK3) · a predicted model of the same protein · chain X against A, TM-score 1.00

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