MolNFT v1 · #75926 · protein
Structure of unphosphorylated PAK1 kinase domain
3Q4Z · SERINE/THREONINE-protein kinase pak 1: “Structure of unphosphorylated PAK1 kinase domain”. X-ray diffraction, 2 ligands (ANP, MG), 8 pockets (best druggability 0.70). MolNFT v1 #75926 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3Q4Z
- Type
- protein
- Length
- 561 residues
- Chains
- 2
- 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
- ANP, MG
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase pak 1 (EC 2.7.11.1) | protein | 282 | 45% helix, 14% strand | Q13153 |
| B | SERINE/THREONINE-protein kinase pak 1 (EC 2.7.11.1) | protein | 279 | 43% helix, 16% strand | Q13153 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 608 | 0.70 | 0.78 | 50 | MG, ANP |
| 2 | 383 | 0.65 | 0.79 | 41 | empty |
| 3 | 197 | 0.53 | 0.78 | 27 | empty |
| 4 | 130 | 0.45 | 0.77 | 19 | empty |
| 5 | 149 | 0.42 | 0.75 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 906 Ų buried · 12 hydrogen bonds · protein-protein
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 Q13153
- Elsewhere: RCSB PDB 3Q4Z · PDBe 3Q4Z · UniProt Q13153
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.