MolNFT v1 · #101234 · protein
Structural and functional characterization of a novel alpha kinase in complex with ADP from entamoeba histolytica
4NL0 · Protein kinase, putative: “Structural and functional characterization of a novel alpha kinase in complex with ADP from entamoeba…”. X-ray diffraction, 2 ligands (ADP, ZN), 5 pockets (best druggability 0.72). MolNFT v1 #101234 on…
- PDB
- 4NL0
- 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
- ADP, ZN
- Pockets
- 5 · best druggability 0.72
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 | 27% helix, 29% strand | M3TP73 |
| B | Protein kinase, putative | protein | 268 | 28% helix, 28% strand | M3TP73 |
Ligands and binding sites
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 | 1003 | 0.72 | 0.75 | 81 | empty |
| 2 | 244 | 0.59 | 0.79 | 36 | empty |
| 3 | 169 | 0.46 | 0.76 | 23 | ADP |
| 4 | 106 | 0.41 | 0.77 | 19 | empty |
| 5 | 92 | 0.40 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 366 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4NL0 · Structural and functional characterization of a novel Alpha Kinase in complex with ADP… · 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 4NL0 · PDBe 4NL0 · UniProt M3TP73
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