MolNFT v1 · #117112 · protein
Mysosin heavy chain kinase a catalytic domain mutant - D663A
5DYJ · Myosin heavy chain kinase a: “Mysosin heavy chain kinase a catalytic domain mutant - D663A”. X-ray diffraction, 3 ligands (AMP, ZN, PO4), 6 pockets (best druggability 0.77). MolNFT v1 #117112 on GenesisL1: 3D structure, binding…
- PDB
- 5DYJ
- Type
- protein
- Length
- 511 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myosin heavy chain kinase a
- EC
- 2.7.11.7
- UniProt
- P42527
- Ligands
- AMP, ZN, PO4
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myosin heavy chain kinase a (EC 2.7.11.7) | protein | 258 | 24% helix, 28% strand | P42527 |
| B | Myosin heavy chain kinase a (EC 2.7.11.7) | protein | 253 | 23% helix, 28% strand | P42527 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 966 | 0.77 | 0.79 | 94 | empty |
| 2 | 415 | 0.70 | 0.81 | 42 | AMP |
| 3 | 424 | 0.69 | 0.80 | 47 | AMP |
| 4 | 81 | 0.33 | 0.74 | 14 | empty |
| 5 | 68 | 0.29 | 0.73 | 8 | empty |
Interfaces
1 interface between chains.
- A–B · 1107 Ų buried · 12 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 P42527
- Elsewhere: RCSB PDB 5DYJ · PDBe 5DYJ · UniProt P42527
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