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Crystal structure of the NR3B ligand binding core complex with glycine at 1.58 ångström resolution

Analyse Crystal structure of the NR3B ligand binding core complex with glycine at 1.58… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2RCA
Type
protein
Length
564 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate [NMDA] receptor subunit 3B
UniProt
Q8VHN2
Ligands
GLY
Pockets
2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlutamate [NMDA] receptor subunit 3Bprotein28236% helix, 26% strandQ8VHN2

Ligands and binding sites

  • GLY · Glycine · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111260.780.80106empty
21880.610.8330empty

Interfaces

1 interface between chains.

  • A–B · 877 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2RCA · Crystal structure of the NR3B ligand binding core complex with glycine at 1.58 Angstrom… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8VHN2 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 3B (Q8VHN2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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