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Crystal structure of EPHB4 in complex with staurosporine

Analyse Crystal structure of EPHB4 in complex with staurosporine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZEW
Type
protein
Length
522 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ephrin type-B receptor 4
EC
2.7.10.1
UniProt
P54760
Ligands
STU, SO4
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEphrin type-B receptor 4 (EC 2.7.10.1)protein27040% helix, 19% strandP54760
BEphrin type-B receptor 4 (EC 2.7.10.1)protein25244% helix, 17% strandP54760

Ligands and binding sites

  • STU · Staurosporine · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13090.740.8639empty
22850.660.8233STU
33080.640.8034STU
44040.600.7635empty

Interfaces

1 interface between chains.

  • A–B · 515 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 3ZEW · Crystal structure of EphB4 in complex with staurosporine · the same entry in another collection · chain A against A, TM-score 1.00
  • P54760 · AlphaFold monomer V2.0 prediction for ephrin type-B receptor 4 (P54760) · a predicted model of the same protein · chain B against A, TM-score 0.98

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