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MolNFT v1 · #170018 · protein

Structure of dally-like protein in complex with O-palmitoleoyl serine

6XTZ · Dally-like, isoform a: “Structure of dally-like protein in complex with O-palmitoleoyl serine”. X-ray diffraction, 2 ligands (O18, NAG), 4 pockets (best druggability 0.80). MolNFT v1 #170018 on GenesisL1: 3D structure, binding sites…

PDB
6XTZ
Type
protein
Length
421 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dally-like, isoform a
UniProt
Q9VUG1
Ligands
O18, NAG
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADally-like, isoform aprotein42168% helix, 2% strandQ9VUG1

Ligands and binding sites

  • O18 · [(2~{S})-2-azanyl-3-oxidanylidene-propyl] (~{Z})-hexadec-9-enoate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • GOL · Glycerol · additive · 4 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16280.800.8449O18, GOL
2810.570.8717empty
3840.430.8021empty
41180.400.7521GOL

Modifications

Observed in the structure: 7 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 6XTZ · Structure of Dally-like protein in complex with O-palmitoleoyl serine · the same entry in another collection · chain A against A, TM-score 1.00

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