MolNFT v1 · #107249 · protein
Structure of GLUA2* in complex with partial agonist (S)-5- nitrowillardiine
4U4F · Glutamate receptor 2: “Structure of GLUA2* in complex with partial agonist (S)-5- nitrowillardiine”. X-ray diffraction, 2 ligands (NWD, NAG), 20 pockets (best druggability 0.85). MolNFT v1 #107249 on GenesisL1: 3D structure, binding…
- PDB
- 4U4F
- Type
- protein
- Length
- 3,072 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- NWD, NAG
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutamate receptor 2 | protein | 768 | 35% helix, 17% strand | P19491 |
Ligands and binding sites
- NWD · 3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine · ligand · 4 copies · chains A, B, C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 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 | 1055 | 0.85 | 0.86 | 134 | NWD |
| 2 | 766 | 0.81 | 0.84 | 104 | empty |
| 3 | 923 | 0.77 | 0.80 | 85 | empty |
| 4 | 844 | 0.77 | 0.80 | 80 | empty |
| 5 | 765 | 0.76 | 0.80 | 78 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3293 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 3188 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 2812 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 2658 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 403 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 4U4F · Structure of GluA2* in complex with partial agonist (S)-5-Nitrowillardiine · 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 4U4F · PDBe 4U4F · UniProt P19491
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.