MolNFT v1 · #118955 · protein
Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with (S)-2-amino-3-(5-(2-(3-(AMINOMETHYL)BENZYL)-2H-tetrazol- 5-yl)-3-hydroxyisoxazol-4-YL)PROPANOIC acid at resolution 1.55 a resolution
5FHM · Glutamate receptor 2,GLUTAMATE receptor 2: “Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with…”. X-ray diffraction, 3 ligands (5XP, LI, SO4), 4 pockets (best druggability 0.73). MolNFT v1 #118955 on…
- PDB
- 5FHM
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2,GLUTAMATE receptor 2
- UniProt
- P19491
- Ligands
- 5XP, LI, SO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 258 | 38% helix, 21% strand | P19491 |
| B | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 259 | 39% helix, 21% strand | P19491 |
Ligands and binding sites
- 5XP · (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid · ligand · chains A
- LI · Lithium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 516 | 0.73 | 0.82 | 57 | SO4, GOL, EDO |
| 2 | 147 | 0.67 | 0.88 | 31 | 5XP, EDO |
| 3 | 469 | 0.67 | 0.78 | 52 | SO4, EDO |
| 4 | 270 | 0.60 | 0.79 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 991 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5FHM · Crystal structure of the GluA2 ligand-binding domain (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 5FHM · PDBe 5FHM · UniProt P19491
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.