MolNFT v1 · #117312 · protein
Crystal structure of apoenzyme alpha-kinase domain of myosin-II heavy chain kinase a
5E4H: “Crystal structure of apoenzyme alpha-kinase domain of myosin-II heavy chain kinase a”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.78). MolNFT v1 #117312 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5E4H
- Type
- protein
- Length
- 2,008 residues
- Chains
- 8
- 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
- ZN
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 252 | 23% helix, 30% strand | P42527 |
| B | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 247 | 23% helix, 30% strand | P42527 |
| C | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 245 | 24% helix, 31% strand | P42527 |
| D, G | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 256 | 21% helix, 30% strand | P42527 |
| E | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 250 | 22% helix, 30% strand | P42527 |
| F | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 253 | 22% helix, 30% strand | P42527 |
| H | Myosin-II heavy chain kinase a (EC 2.7.11.7) | protein | 249 | 24% helix, 31% strand | P42527 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1136 | 0.78 | 0.80 | 103 | empty |
| 2 | 770 | 0.74 | 0.79 | 60 | empty |
| 3 | 1134 | 0.73 | 0.76 | 77 | empty |
| 4 | 458 | 0.71 | 0.81 | 48 | empty |
| 5 | 734 | 0.70 | 0.77 | 57 | empty |
Interfaces
9 interfaces between chains.
- A–G · 663 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 598 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 594 Ų buried · 9 hydrogen bonds · protein-protein
- G–H · 593 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 589 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (phosphorylation).
Compared structures
- 5E4H · Crystal Structure of Apoenzyme Alpha-kinase Domain of Myosin-II Heavy Chain Kinase A · the same entry in another collection · chain H against H, 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 C against A, TM-score 0.81
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 5E4H · PDBe 5E4H · UniProt P42527
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.