MolNFT v1 · #97955 · protein
Structural and functional characterization of a novel alpha kinase from entamoeba histolytica
4KUJ · Protein kinase, putative: “Structural and functional characterization of a novel alpha kinase from entamoeba histolytica”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.70). MolNFT v1 #97955 on GenesisL1: 3D…
- PDB
- 4KUJ
- Type
- protein
- Length
- 531 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase, putative
- UniProt
- M3TP73
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase, putative | protein | 263 | 28% helix, 29% strand | M3TP73 |
| B | Protein kinase, putative | protein | 268 | 27% helix, 28% strand | M3TP73 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 855 | 0.70 | 0.75 | 64 | empty |
| 2 | 186 | 0.57 | 0.80 | 36 | empty |
| 3 | 168 | 0.49 | 0.77 | 23 | PEG |
| 4 | 125 | 0.42 | 0.76 | 18 | empty |
| 5 | 107 | 0.42 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 396 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4KUJ · Structural and functional characterization of a novel Alpha Kinase from Entamoeba… · the same entry in another collection · chain A against A, TM-score 1.00
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 M3TP73
- Elsewhere: RCSB PDB 4KUJ · PDBe 4KUJ · UniProt M3TP73
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