Research workbench
In cellulo crystal structure of PAK4 in complex with inka
Analyse In cellulo crystal structure of PAK4 in complex with inka in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XBR
- Type
- protein
- Length
- 316 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein FAM212A,SERINE/THREONINE-protein kinase pak 4
- EC
- 2.7.11.1
- UniProt
- Q96EL1, O96013
- Ligands
- ATP, MG
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein FAM212A,SERINE/THREONINE-protein kinase pak 4 (EC 2.7.11.1) | protein | 316 | 40% helix, 18% strand | Q96EL1, O96013 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.64 | 0.81 | 31 | ATP, MG |
| 2 | 61 | 0.38 | 0.79 | 16 | empty |
| 3 | 58 | 0.30 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4XBR · In cellulo Crystal Structure of PAK4 in complex with Inka · the same entry in another collection · chain A against A, TM-score 1.00
- O96013 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 4 (O96013) · a predicted model of the same protein · chain A against A, TM-score 0.92
- Q96EL1 · AlphaFold monomer V2.0 prediction for PAK4-inhibitor INKA1 (Q96EL1) · a predicted model of the same protein · chain A against A, TM-score 0.17
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 Q96EL1
- Every structure of UniProt O96013
- Elsewhere: RCSB PDB 4XBR · PDBe 4XBR · UniProt Q96EL1 · UniProt O96013
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