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Crystal structure of human Dishevelled1 PDZ domain with its inhibitor NPL3009

Analyse Crystal structure of human Dishevelled1 PDZ domain with its inhibitor NPL3009 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LCB
Type
protein
Length
82 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.4
Source
Homo sapiens
Molecule
Segment polarity protein dishevelled homolog DVL-1
UniProt
O14640
Ligands
E83, SO4

Structure

x-ray diffraction · resolution 1.4 · 1 distinct chain · 22% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASegment polarity protein dishevelled homolog DVL-1protein8222% helix, 33% strandO14640

Ligands and binding sites

  • E83 · 2-[[3-[(2E)-2-[1,3-bis(oxidanylidene)-1-phenyl-butan-2-ylidene]hydrazinyl]phenyl]sulfonylamino]benzoic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Compared structures

  • 6LCB · Crystal structure of human DISHEVELLED1 PDZ domain with its inhibitor NPL3009 · the same entry in another collection · chain A against A, TM-score 1.00
  • O14640 · AlphaFold monomer V2.0 prediction for segment polarity protein dishevelled homolog dvl-1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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