Research workbench
Crystal structure of the alpha-kinase domain of myosin-II heavy chain kinase a in complex with AMP-pnp
Analyse Crystal structure of the alpha-kinase domain of myosin-II heavy chain kinase a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E9E
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin-II heavy chain kinase a
- EC
- 2.7.11.7
- UniProt
- P42527
- Ligands
- ANP, ZN, PO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 255 | 22% helix, 29% strand | P42527 |
| B | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 261 | 23% helix, 28% strand | P42527 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 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 | 1075 | 0.78 | 0.80 | 106 | empty |
| 2 | 273 | 0.64 | 0.81 | 43 | ANP |
| 3 | 313 | 0.63 | 0.80 | 45 | ANP |
| 4 | 152 | 0.45 | 0.76 | 17 | empty |
| 5 | 75 | 0.34 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1137 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5E9E · Crystal Structure of the Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A in Complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P42527 · AlphaFold monomer V2.0 prediction for myosin heavy chain kinase a (P42527) · a predicted model of the same protein · chain B against A, TM-score 0.80
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 P42527
- Elsewhere: RCSB PDB 5E9E · PDBe 5E9E · UniProt P42527
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