MolNFT v1 · #91611 · protein
Catalytic domain of human PAK4
4FIG · SERINE/THREONINE-protein kinase pak 4: “Catalytic domain of human PAK4”. X-ray diffraction, 2 ligands (ANP, MG), 7 pockets (best druggability 0.69). MolNFT v1 #91611 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FIG
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase pak 4
- EC
- 2.7.11.1
- UniProt
- O96013
- Ligands
- ANP, MG
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | SERINE/THREONINE-protein kinase pak 4 (EC 2.7.11.1) | protein | 293 | 42% helix, 18% strand | O96013 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 433 | 0.69 | 0.81 | 47 | MG, ANP |
| 2 | 284 | 0.63 | 0.80 | 35 | ANP, MG |
| 3 | 202 | 0.61 | 0.82 | 34 | empty |
| 4 | 54 | 0.33 | 0.77 | 14 | empty |
| 5 | 58 | 0.32 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 878 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
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 O96013
- Elsewhere: RCSB PDB 4FIG · PDBe 4FIG · UniProt O96013
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