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MolNFT v1 · #164904 · protein

Structure of drosophila melanogaster dispatched bound to a modified hedgehog ligand, hhn-C85II

6TD6 · Protein dispatched: “Structure of drosophila melanogaster dispatched bound to a modified hedgehog ligand, hhn-C85II”. Electron microscopy, 1 ligand (NAG), 19 pockets (best druggability 0.83). MolNFT v1 #164904 on GenesisL1: 3D…

PDB
6TD6
Type
protein
Length
982 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein dispatched; Protein hedgehog
UniProt
Q9VNJ5, Q02936
Ligands
NAG
Pockets
19 · best druggability 0.83

Structure

electron microscopy · 2 distinct chains · 56% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein dispatchedprotein84261% helix, 5% strandQ9VNJ5
BProtein hedgehogprotein14028% helix, 19% strandQ02936

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14890.830.8958empty
27160.810.84104empty
39720.780.80118empty
43060.780.8949empty
52840.780.8956empty

Interfaces

1 interface between chains.

  • A–B · 650 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6TD6 · Structure of Drosophila melanogaster Dispatched bound to a modified Hedgehog ligand… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9VNJ5 · AlphaFold monomer V2.0 prediction for protein dispatched (Q9VNJ5) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q02936 · AlphaFold monomer V2.0 prediction for protein hedgehog (Q02936) · a predicted model of the same protein · chain B against A, TM-score 0.96

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