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Crystal structure of GLUN2D ligand-binding core in complex with N- methyl-D-aspartate

Analyse Crystal structure of GLUN2D ligand-binding core in complex with N… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OEM
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate [NMDA] receptor subunit epsilon-4
UniProt
Q62645
Ligands
OEM
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate [NMDA] receptor subunit epsilon-4protein26834% helix, 24% strandQ62645

Ligands and binding sites

  • OEM · N-methyl-D-aspartic acid · ligand · 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
12060.590.8137OEM
2580.350.7917empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 3OEM · Crystal structure of GluN2D ligand-binding core in complex with N-methyl-D-aspartate · the same entry in another collection · chain A against A, TM-score 1.00
  • Q62645 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 2D (Q62645) · a predicted model of the same protein · chain A against A, TM-score 0.95

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