MolNFT v1 · #105618 · protein
Crystal structure of human protein kinase C alpha in complex with compound 28 ((R)-6-((3S,4S)-1,3-dimethyl-piperidin-4-yl)-7-(2-fluoro- phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4A-triaza-phenanthren-3-one)
4RA4: “Crystal structure of human protein kinase C alpha in complex with compound 28…”. X-ray diffraction, 1 ligand (3KZ), 4 pockets (best druggability 0.62). MolNFT v1 #105618 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RA4
- Type
- protein
- Length
- 320 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C
- EC
- 2.7.11.13
- UniProt
- L7RSM7
- Ligands
- 3KZ
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase C (EC 2.7.11.13) | protein | 320 | 38% helix, 16% strand | L7RSM7 |
Ligands and binding sites
- 3KZ · (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.62 | 0.80 | 28 | 3KZ |
| 2 | 167 | 0.51 | 0.78 | 32 | empty |
| 3 | 152 | 0.49 | 0.78 | 18 | empty |
| 4 | 128 | 0.41 | 0.75 | 23 | empty |
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 4RA4 · Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28… · 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 L7RSM7
- Elsewhere: RCSB PDB 4RA4 · PDBe 4RA4 · UniProt L7RSM7
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