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Crystal structure of EPHA3 in complex with 18-crown-6

Analyse Crystal structure of EPHA3 in complex with 18-crown-6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6IN0
Type
protein
Length
272 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ephrin type-a receptor 3
EC
2.7.10.1
UniProt
P29320
Ligands
O4B, CL
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEphrin type-a receptor 3 (EC 2.7.10.1)protein27241% helix, 19% strandP29320

Ligands and binding sites

  • O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane · ligand · 2 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A

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
12970.600.7836O4B
2540.270.7319empty

Compared structures

  • 6IN0 · Crystal structure of EphA3 in complex with 18-Crown-6 · the same entry in another collection · chain A against A, TM-score 1.00
  • P29320 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 3 (P29320) · a predicted model of the same protein · chain A against A, TM-score 0.97

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