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GLUA2FLIP slbd complexed with fw and (R,R)-2B crystal form F

Analyse GLUA2FLIP slbd complexed with fw and (R,R)-2B crystal form F in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4U23
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2,GLUTAMATE receptor 2
UniProt
P19491
Ligands
FWD, FWF
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2,GLUTAMATE receptor 2protein25936% helix, 21% strandP19491

Ligands and binding sites

  • FWD · 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · chains A
  • FWF · N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide · ligand · 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
1500.680.9718FWD
21220.400.7521empty
3900.390.7723empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4U23 · GluA2flip sLBD complexed with FW and (R,R)-2b crystal form F · the same entry in another collection · chain A against A, TM-score 1.00

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