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Co-crystal structure of the SAM domains of EPHA1 and EPHA2

Analyse Co-crystal structure of the SAM domains of EPHA1 and EPHA2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KKA
Type
protein
Length
320 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ephrin type-a receptor 1; Ephrin type-a receptor 2
EC
2.7.10.1
UniProt
P21709, P29317
Ligands
CL
Pockets
2 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 62% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEphrin type-a receptor 1 (EC 2.7.10.1)protein6459% helix, 0% strandP21709
BEphrin type-a receptor 1 (EC 2.7.10.1)protein6360% helix, 0% strandP21709
CEphrin type-a receptor 2 (EC 2.7.10.1)protein5968% helix, 0% strandP29317
DEphrin type-a receptor 2 (EC 2.7.10.1)protein6863% helix, 0% strandP29317
EEphrin type-a receptor 2 (EC 2.7.10.1)protein6661% helix, 0% strandP29317

Ligands and binding sites

  • CL · Chloride ion · ion · chains B

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
17970.730.7875empty
2800.320.7417empty

Interfaces

6 interfaces between chains.

  • A–B · 577 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 345 Ų buried · 3 hydrogen bonds · protein-protein
  • C–E · 312 Ų buried · 3 hydrogen bonds · protein-protein
  • A–E · 237 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 209 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 3KKA · Co-crystal structure of the sam domains of EPHA1 AND EPHA2 · the same entry in another collection · chain D against D, TM-score 1.00
  • P29317 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 2 (P29317) · a predicted model of the same protein · chain C against A, TM-score 0.98
  • P21709 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 1 (P21709) · a predicted model of the same protein · chain B against A, TM-score 0.96

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