MolNFT v1 · #137970 · protein
Solution structure of C2 domain from protein kinase C alpha in ternary complex with calcium and V5-phm peptide
5W4S · Protein kinase C alpha type: “Solution structure of C2 domain from protein kinase C alpha in ternary complex with calcium and V5-phm peptide”. Solution nmr, 3 ligands (ACE, CA, NH2), 1 pocket (best druggability 0.30). MolNFT v1…
- PDB
- 5W4S
- Type
- protein
- Length
- 149 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase C alpha type; V5-phm peptide
- EC
- 2.7.11.13
- UniProt
- P05696
- Ligands
- ACE, CA, NH2
- Pockets
- 1 · best druggability 0.30
Structure
solution nmr · 2 distinct chains · 10% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase C alpha type (EC 2.7.11.13) | protein | 139 | 11% helix, 47% strand | P05696 |
| B | V5-phm peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A
- NH2 · Amino group · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.30 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 613 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 5W4S · Solution structure of C2 domain from protein kinase C alpha in ternary complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P05696 · AlphaFold monomer V2.0 prediction for protein kinase C alpha type (P05696) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 P05696
- Elsewhere: RCSB PDB 5W4S · PDBe 5W4S · UniProt P05696
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