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Crystal structure of the NMDA receptor GLUN1 ligand binding domain apo state

Analyse Crystal structure of the NMDA receptor GLUN1 ligand binding domain apo state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KCC
Type
protein
Length
275 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor ionotropic, NMDA 1
UniProt
P35439
Ligands
PO4
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor ionotropic, NMDA 1protein27533% helix, 28% strandP35439

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14350.630.7748empty
2760.360.7618empty
3560.300.7514empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4KCC · Crystal Structure of the NMDA Receptor GluN1 Ligand Binding Domain Apo State · the same entry in another collection · chain A against A, TM-score 1.00
  • P35439 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, NMDA 1 (P35439) · a predicted model of the same protein · chain A against A, TM-score 0.92

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