MolNFT v1 · #59000 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with fqx at 1.87 ångströms
3BKI · Glutamate receptor 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with fqx at 1.87 ångströms”. X-ray diffraction, 1 ligand (FQX), 8 pockets (best druggability 0.81). MolNFT v1 #59000 on GenesisL1: 3D…
- PDB
- 3BKI
- Type
- protein
- Length
- 1,028 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- FQX
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P, B, C, D | Glutamate receptor 2 | protein | 257 | 38% helix, 20% strand | P19491 |
Ligands and binding sites
- FQX · [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide · ligand · 4 copies · chains P, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.81 | 0.82 | 117 | FQX |
| 2 | 268 | 0.64 | 0.82 | 36 | FQX |
| 3 | 293 | 0.64 | 0.81 | 35 | FQX |
| 4 | 310 | 0.62 | 0.79 | 40 | FQX |
| 5 | 303 | 0.61 | 0.79 | 30 | empty |
Interfaces
3 interfaces between chains.
- P–C · 989 Ų buried · 12 hydrogen bonds · protein-protein
- P–D · 467 Ų buried · 1 hydrogen bond · protein-protein
- P–B · 169 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3BKI · Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87… · the same entry in another collection · chain B against B, 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 3BKI · PDBe 3BKI · UniProt P19491
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