Research workbench
Crystal structure of SPINDLIN1 in complex with the inhibitor MS31
Analyse Crystal structure of SPINDLIN1 in complex with the inhibitor MS31 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QPL
- Type
- protein
- Length
- 190 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spindlin-1
- UniProt
- Q9Y657
- Ligands
- JC5, GLY, PO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Spindlin-1 | protein | 190 | 7% helix, 49% strand | Q9Y657 |
Ligands and binding sites
- JC5 · [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl) propoxy]-4-methoxy-phenyl]methanamine · ligand · chains B
- GLY · Glycine · ligand · chains B
- PO4 · Phosphate ion · ion · chains B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains B
- GOL · Glycerol · additive · chains 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.46 | 0.83 | 9 | MPD |
| 2 | 102 | 0.39 | 0.76 | 14 | MPD |
Compared structures
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 Q9Y657
- Elsewhere: RCSB PDB 6QPL · PDBe 6QPL · UniProt Q9Y657
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