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Insight into E-SELECTIN(SLASH)LIGAND interaction from the crystal structure and mutagenesis of the LEC(SLASH)EGF domains

Analyse Insight into E-SELECTIN(SLASH)LIGAND interaction from the crystal structure and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ESL
Type
protein
Length
157 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Human E-selectin
UniProt
P16581
Ligands
CA, CL
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHuman E-selectinprotein15715% helix, 32% strandP16581

Ligands and binding sites

  • CA · Calcium ion · metal · 3 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

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.340.7619empty

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 1ESL · Insight into E-SELECTIN(SLASH)LIGAND interaction from the crystal structure and… · the same entry in another collection · chain A against A, TM-score 1.00
  • P16581 · AlphaFold monomer V2.0 prediction for E-selectin (P16581) · a predicted model of the same protein · chain A against A, TM-score 0.90

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