MolNFT v1 · #14981 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with iodo-willardiine at 2.15 ångströms resolution
1MQG · Glutamate receptor 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with iodo-willardiine at 2.15 ångströms…”. X-ray diffraction, 2 ligands (IWD, SO4), 8 pockets (best druggability 0.71). MolNFT v1 #14981 on…
- PDB
- 1MQG
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- IWD, SO4
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2 | protein | 259 | 38% helix, 21% strand | P19491 |
| B | Glutamate receptor 2 | protein | 260 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- IWD · 2-amino-3-(5-iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.71 | 0.95 | 21 | IWD |
| 2 | 73 | 0.68 | 0.94 | 20 | IWD |
| 3 | 355 | 0.59 | 0.76 | 37 | empty |
| 4 | 213 | 0.49 | 0.76 | 30 | empty |
| 5 | 143 | 0.47 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 399 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1MQG · Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with… · 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 1MQG · PDBe 1MQG · UniProt P19491
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