Research workbench
Crystal structure of human GRIK1 complexed with a 6-(TETRAZOLYL)ARYL decahydroisoquinoline antagonist
Analyse Crystal structure of human GRIK1 complexed with a 6-(TETRAZOLYL)ARYL… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MF3
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor ionotropic, kainate 1
- UniProt
- P39086
- Ligands
- SXI
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamate receptor ionotropic, kainate 1 | protein | 258 | 38% helix, 22% strand | P39086 |
Ligands and binding sites
- SXI · (3S,4aS,6S,8aR)-6-[3-chloro-2-(1H-tetrazol-5-yl)phenoxy]decahydroisoquinoline-3-carboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 951 | 0.78 | 0.80 | 86 | SXI |
| 2 | 923 | 0.78 | 0.81 | 88 | SXI |
Interfaces
1 interface between chains.
- A–B · 1121 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4MF3 · Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl… · the same entry in another collection · chain A against A, TM-score 1.00
- P39086 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 1 (P39086) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P39086
- Elsewhere: RCSB PDB 4MF3 · PDBe 4MF3 · UniProt P39086
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