MolNFT v1 · #69108 · protein
AMPA subtype ionotropic glutamate receptor in complex with competitive antagonist zk 200775
3KG2 · Glutamate receptor 2: “AMPA subtype ionotropic glutamate receptor in complex with competitive antagonist zk 200775”. X-ray diffraction, 3 ligands (ZK1, NAG, BMA), 20 pockets (best druggability 0.84). MolNFT v1 #69108 on GenesisL1…
- PDB
- 3KG2
- Type
- protein
- Length
- 3,116 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- ZK1, NAG, BMA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutamate receptor 2 | protein | 779 | 40% helix, 17% 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
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
- BMA · beta-D-mannopyranose · sugar · 6 copies
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 | 990 | 0.84 | 0.85 | 123 | ZK1 |
| 2 | 950 | 0.83 | 0.85 | 125 | ZK1 |
| 3 | 648 | 0.75 | 0.81 | 65 | empty |
| 4 | 525 | 0.71 | 0.81 | 63 | empty |
| 5 | 580 | 0.71 | 0.79 | 63 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3069 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 2993 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 2643 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 2626 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 352 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 3KG2 · AMPA subtype ionotropic glutamate receptor in complex with competitive antagonist ZK… · 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 3KG2 · PDBe 3KG2 · UniProt P19491
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