Research workbench
GLUA2FLIP slbd complexed with fw and (R,R)-2B crystal form E
Analyse GLUA2FLIP slbd complexed with fw and (R,R)-2B crystal form E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U21
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- 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
- 4 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 262 | 37% helix, 20% strand | P19491 |
| B | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 260 | 37% helix, 21% strand | P19491 |
Ligands and binding sites
- FWD · 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · 2 copies · chains A, B
- FWF · N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 920 | 0.79 | 0.82 | 93 | FWF |
| 2 | 313 | 0.61 | 0.79 | 36 | empty |
| 3 | 106 | 0.41 | 0.76 | 25 | empty |
| 4 | 92 | 0.40 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 838 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4U21 · GluA2flip sLBD complexed with FW and (R,R)-2b crystal form E · 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 4U21 · PDBe 4U21 · UniProt P19491
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