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Crystal structure of pkciota kinase domain
Analyse Crystal structure of pkciota kinase domain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A8W
- Type
- protein
- Length
- 657 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C iota type
- EC
- 2.7.11.13
- UniProt
- P41743
- Ligands
- ATP, SO4
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase C iota type (EC 2.7.11.13) | protein | 328 | 40% helix, 16% strand | P41743 |
| B | Protein kinase C iota type (EC 2.7.11.13) | protein | 329 | 40% helix, 16% strand | P41743 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.70 | 0.81 | 36 | ATP |
| 2 | 403 | 0.69 | 0.80 | 43 | ATP |
| 3 | 558 | 0.65 | 0.76 | 77 | empty |
| 4 | 166 | 0.47 | 0.76 | 31 | empty |
| 5 | 164 | 0.44 | 0.75 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 741 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 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 P41743
- Elsewhere: RCSB PDB 3A8W · PDBe 3A8W · UniProt P41743
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