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Crystal structure of the NR3A ligand binding core complex with glycine at 1.58 ångström resolution

Analyse Crystal structure of the NR3A 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
2RC7
Type
protein
Length
568 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate [NMDA] receptor subunit 3A
UniProt
Q9R1M7
Ligands
GLY, CL, BR
Pockets
1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlutamate [NMDA] receptor subunit 3Aprotein28436% helix, 24% strandQ9R1M7

Ligands and binding sites

  • GLY · Glycine · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 7 copies · chains A, B
  • BR · Bromide ion · ion · chains A
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19330.810.8385CL

Interfaces

1 interface between chains.

  • A–B · 761 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2RC7 · Crystal structure of the NR3A ligand binding core complex with glycine at 1.58 Angstrom… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q9R1M7 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 3A (Q9R1M7) · a predicted model of the same protein · chain B against A, TM-score 0.98

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