MolNFT v1 · #21181 · protein
Absolute stereochemistry of ulapualide a
1S22 · Actin: “Absolute stereochemistry of ulapualide a”. X-ray diffraction, 3 ligands (ATP, ULA, CA), 2 pockets (best druggability 0.74). MolNFT v1 #21181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1S22
- Type
- protein
- Length
- 357 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin
- UniProt
- P68135
- Ligands
- ATP, ULA, CA
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actin | protein | 357 | 46% helix, 21% strand | P68135 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- ULA · Ulapualide A · ligand · chains A
- CA · Calcium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.74 | 0.87 | 46 | CA, ATP |
| 2 | 118 | 0.41 | 0.75 | 19 | empty |
Modifications
Observed in the structure: 1 modified (methylation).
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 P68135
- Elsewhere: RCSB PDB 1S22 · PDBe 1S22 · UniProt P68135
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