MolNFT v1 · #16354 · protein
Solution structure of CA2+/CALMODULIN bound to the C-terminal domain of petunia glutamate decarboxylase
1NWD: “Solution structure of CA2+/CALMODULIN bound to the C-terminal domain of petunia glutamate decarboxylase”. Solution nmr, 1 ligand (CA), 5 pockets (best druggability 0.74). MolNFT v1 #16354 on GenesisL1: 3D structure, binding sites…
- PDB
- 1NWD
- Type
- protein
- Length
- 204 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Glutamate decarboxylase
- EC
- 4.1.1.15
- UniProt
- P62155, Q07346
- Ligands
- CA
- Pockets
- 5 · best druggability 0.74
Structure
solution nmr · 2 distinct chains · 56% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 148 | 53% helix, 3% strand | P62155 |
| B, C | Glutamate decarboxylase (EC 4.1.1.15) | protein | 28 | 68% helix, 0% strand | Q07346 |
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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.74 | 0.98 | 20 | empty |
| 2 | 69 | 0.40 | 0.79 | 14 | empty |
| 3 | 94 | 0.37 | 0.75 | 17 | empty |
| 4 | 64 | 0.30 | 0.74 | 12 | empty |
| 5 | 56 | 0.30 | 0.75 | 9 | empty |
Interfaces
3 interfaces between chains.
- A–B · 985 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 903 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 522 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1NWD · Solution Structure of Ca2+/Calmodulin bound to the C-terminal Domain of Petunia Glutamate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q07346 · AlphaFold monomer V2.0 prediction for glutamate decarboxylase (Q07346) · a predicted model of the same protein · chain C against A, TM-score 0.66
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 Q07346
- Elsewhere: RCSB PDB 1NWD · PDBe 1NWD · UniProt P62155 · UniProt Q07346
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