MolNFT v1 · #64252 · protein
Crystal structure of PAK1 kinase domain with ruthenium complex lambda- FL172
3FXZ · SERINE/THREONINE-protein kinase pak 1: “Crystal structure of PAK1 kinase domain with ruthenium complex lambda- FL172”. X-ray diffraction, 1 ligand (FLL), 1 pocket (best druggability 0.60). MolNFT v1 #64252 on GenesisL1: 3D…
- PDB
- 3FXZ
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pak 1
- EC
- 2.7.11.1
- UniProt
- Q13153
- Ligands
- FLL
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pak 1 (EC 2.7.11.1) | protein | 293 | 45% helix, 18% strand | Q13153 |
Ligands and binding sites
- FLL · Octahedral ru-pyridocarbazole · ligand · chains A
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 | 327 | 0.60 | 0.77 | 38 | FLL |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 3FXZ · Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172 · the same entry in another collection · chain A against A, TM-score 1.00
- Q13153 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 1 (Q13153) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q13153
- Elsewhere: RCSB PDB 3FXZ · PDBe 3FXZ · UniProt Q13153
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