MolNFT v1 · #191188 · protein
Lim domain kinase 1 (LIMK1) bound to LIMKI3
8AAU: “Lim domain kinase 1 (LIMK1) bound to LIMKI3”. X-ray diffraction, 3 ligands (LH0, MG, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #191188 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8AAU
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lim domain kinase 1
- EC
- 2.7.11.1
- UniProt
- P53667
- Ligands
- LH0, MG, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Lim domain kinase 1 (EC 2.7.11.1) | protein | 291 | 41% helix, 21% strand | P53667 |
Ligands and binding sites
- LH0 · ~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide · ligand · chains L
- MG · Magnesium ion · metal · chains L
- SO4 · Sulfate ion · ion · 3 copies · chains L
- EDO · 1,2-ethanediol · additive · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.66 | 0.80 | 40 | LH0 |
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 P53667
- Elsewhere: RCSB PDB 8AAU · PDBe 8AAU · UniProt P53667
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