Research workbench
Structural basis of the MUNC13-1/CA2+-calmodulin interaction: a novel 1-26 calmodulin binding motif with a bipartite binding mode
Analyse Structural basis of the MUNC13-1/CA2+-calmodulin interaction: a novel 1-26… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2KDU
- Type
- protein
- Length
- 184 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Protein unc-13 homolog a
- UniProt
- P62155, Q62768
- Ligands
- CA
- Pockets
- 2 · best druggability 0.49
Structure
solution nmr · 2 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 58% helix, 5% strand | P62155 |
| B | Protein unc-13 homolog a | protein | 36 | 67% helix, 0% strand | Q62768 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A
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 | 107 | 0.49 | 0.80 | 13 | empty |
| 2 | 174 | 0.43 | 0.74 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1531 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2KDU · Structural basis of the Munc13-1/Ca2+-Calmodulin interaction: A novel 1-26 calmodulin… · the same entry in another collection · chain A against A, TM-score 1.00
- Q62768 · AlphaFold monomer V2.0 prediction for protein unc-13 homolog a (Q62768) · a predicted model of the same protein · chain B against A, TM-score 0.56
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 P62155
- Every structure of UniProt Q62768
- Elsewhere: RCSB PDB 2KDU · PDBe 2KDU · UniProt P62155 · UniProt Q62768
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