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Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 ångström resolution

Analyse Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6G7O
Type
protein
Length
350 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alkaline ceramidase 3,SOLUBLE cytochrome B562
EC
3.5.1.-
UniProt
Q9NUN7, P0ABE7
Ligands
OLB, NA, MG, ZN, CA, SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlkaline ceramidase 3,SOLUBLE cytochrome B562 (EC 3.5.1.-)protein35075% helix, 0% strandQ9NUN7, P0ABE7

Ligands and binding sites

  • OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12570.790.9142ZN, OLB
2730.330.7512empty
3540.300.7615empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6G7O · Crystal structure of human alkaline ceramidase 3 (ACER3) at 2.7 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NUN7 · AlphaFold monomer V2.0 prediction for alkaline ceramidase 3 (Q9NUN7) · a predicted model of the same protein · chain A against A, TM-score 0.69
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.30

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