MolNFT v1 · #151060 · protein
Structure of GLUA2 ligand-binding domain (S1S1J) in complex with positive allosteric modulator TDPAM02 at 1.8 a resolution
6HCA · Glutamate receptor 2,GLUTAMATE receptor 2: “Structure of GLUA2 ligand-binding domain (S1S1J) in complex with positive allosteric modulator TDPAM02 at 1.8…”. X-ray diffraction, 3 ligands (FXW, SO4, CL), 3 pockets (best druggability…
- PDB
- 6HCA
- Type
- protein
- Length
- 520 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
- FXW, SO4, CL
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 261 | 38% helix, 21% strand | P19491 |
| B | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 259 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- FXW · 6,6'-(ethane-1,2-diyl)bis(4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide) · ligand · chains A, B
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 862 | 0.82 | 0.84 | 99 | SO4, FXW |
| 2 | 189 | 0.64 | 0.84 | 27 | PEG |
| 3 | 248 | 0.59 | 0.80 | 32 | empty |
Interfaces
1 interface between chains.
- A–B · 972 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6HCA · Structure of GLUA2 ligand-binding domain (S1S1J) in complex with positive allosteric… · 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 6HCA · PDBe 6HCA · UniProt P19491
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