MolNFT v1 · #80464 · protein
PKC eta kinase in complex with a naphthyridine
3TXO · Protein kinase C eta type: “PKC eta kinase in complex with a naphthyridine”. X-ray diffraction, 1 ligand (07U), 4 pockets (best druggability 0.71). MolNFT v1 #80464 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TXO
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C eta type
- EC
- 2.7.11.13
- UniProt
- P24723
- Ligands
- 07U
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase C eta type (EC 2.7.11.13) | protein | 318 | 40% helix, 16% strand | P24723 |
Ligands and binding sites
- 07U · 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 287 | 0.71 | 0.85 | 30 | 07U |
| 2 | 103 | 0.49 | 0.81 | 18 | empty |
| 3 | 138 | 0.39 | 0.73 | 20 | empty |
| 4 | 55 | 0.24 | 0.71 | 14 | empty |
Modifications
Observed in the structure: 1 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 P24723
- Elsewhere: RCSB PDB 3TXO · PDBe 3TXO · UniProt P24723
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