MolNFT v1 · #107899 · protein
Cryo-EM density MAP of GLUA2EM in complex with ZK200775
4UQJ · Glutamate receptor 2: “Cryo-EM density MAP of GLUA2EM in complex with ZK200775”. Electron microscopy, 1 ligand (ZK1), 20 pockets (best druggability 0.84). MolNFT v1 #107899 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4UQJ
- Type
- protein
- Length
- 2,983 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- ZK1
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutamate receptor 2 | protein | 746 | 41% helix, 18% strand | P19491 |
| D | Glutamate receptor 2 | protein | 745 | 41% helix, 18% strand | P19491 |
Ligands and binding sites
- ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.84 | 0.85 | 112 | ZK1 |
| 2 | 1142 | 0.79 | 0.80 | 117 | empty |
| 3 | 471 | 0.76 | 0.84 | 65 | ZK1 |
| 4 | 1035 | 0.76 | 0.79 | 96 | empty |
| 5 | 413 | 0.75 | 0.85 | 62 | ZK1 |
Interfaces
6 interfaces between chains.
- C–D · 2660 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 2652 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 2403 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 2389 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 256 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4UQJ · Cryo-EM density map of GluA2em in complex with ZK200775 · 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 4UQJ · PDBe 4UQJ · UniProt P19491
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