Research workbench
Crystal structure of CDC42 binding protein kinase alpha (mrck alpha)
Analyse Crystal structure of CDC42 binding protein kinase alpha (mrck alpha) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AW2
- Type
- protein
- Length
- 398 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase mrck alpha
- EC
- 2.7.11.1
- UniProt
- O54874
- Ligands
- 22E
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase mrck alpha (EC 2.7.11.1) | protein | 398 | 41% helix, 14% strand | O54874 |
Ligands and binding sites
- 22E · 5,11-dimethyl-1-oxo-2,6-dihydro-1h-pyrido[4,3-b]carbazol-9-yl benzoate · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.71 | 0.81 | 45 | EDO |
| 2 | 108 | 0.60 | 0.86 | 20 | 22E |
| 3 | 161 | 0.44 | 0.75 | 25 | empty |
| 4 | 52 | 0.28 | 0.74 | 15 | empty |
| 5 | 59 | 0.26 | 0.72 | 12 | empty |
Compared structures
- 4AW2 · Crystal structure of CDC42 binding protein kinase alpha (MRCK alpha) · the same entry in another collection · chain A against A, TM-score 1.00
- O54874 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase mrck alpha (O54874) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O54874
- Elsewhere: RCSB PDB 4AW2 · PDBe 4AW2 · UniProt O54874
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