MolNFT v1 · #26644 · protein

Exploring the GLUR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-ahcp

1WVJ · Ionotropic glutamate receptor 2: “Exploring the GLUR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-ahcp”. X-ray diffraction, 2 ligands (IBC, SO4), 3 pockets (best druggability 0.75). MolNFT v1 #26644 on…

PDB: 1WVJ
Type: protein
Length: 262 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ionotropic glutamate receptor 2
UniProt: P19491
Ligands: IBC, SO4
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ionotropic glutamate receptor 2	protein	262	38% helix, 21% strand	P19491

Ligands and binding sites

IBC · 3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 3 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	80	0.75	0.98	21	IBC
2	102	0.43	0.78	19	empty
3	86	0.37	0.76	21	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

1WVJ · Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P19491
Elsewhere: RCSB PDB 1WVJ · PDBe 1WVJ · UniProt P19491

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