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Human EPHA3 kinase domain in complex with compound 7

Analyse Human EPHA3 kinase domain in complex with compound 7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4G2F
Type
protein
Length
275 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Eph receptor A3
EC
2.7.10.1
UniProt
Q6P4R6
Ligands
C07
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEph receptor A3 (EC 2.7.10.1)protein27540% helix, 19% strandQ6P4R6

Ligands and binding sites

  • C07 · 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.590.7937C07

Compared structures

  • 4G2F · Human EphA3 kinase domain in complex with compound 7 · the same entry in another collection · chain A against A, TM-score 1.00

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