MolNFT v1 · #12714 · protein
Pkci-transition state analog
1KPE · Protein kinase C interacting protein: “Pkci-transition state analog”. X-ray diffraction, 1 ligand (ADW), 2 pockets (best druggability 0.38). MolNFT v1 #12714 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1KPE
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C interacting protein
- UniProt
- P49773
- Ligands
- ADW
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein kinase C interacting protein | protein | 113 | 28% helix, 25% strand | P49773 |
Ligands and binding sites
- ADW · Adenosine-5'-ditungstate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 98 | 0.38 | 0.75 | 22 | ADW |
| 2 | 67 | 0.31 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2018 Ų buried · 49 hydrogen bonds · protein-protein
Compared structures
- 1KPE · Pkci-transition state analog · 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 P49773
- Elsewhere: RCSB PDB 1KPE · PDBe 1KPE · UniProt P49773
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