MolNFT v1 · #100973 · protein
X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium- signalling protein
4NDB: “X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium- signalling protein”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.76). MolNFT v1 #100973 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4NDB
- Type
- protein
- Length
- 371 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calexcitin
- UniProt
- O76764
- Ligands
- CA
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calexcitin | protein | 187 | 65% helix, 3% strand | O76764 |
| B | Calexcitin | protein | 184 | 65% helix, 4% strand | O76764 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.76 | 0.95 | 22 | empty |
| 2 | 331 | 0.62 | 0.78 | 39 | empty |
| 3 | 61 | 0.31 | 0.75 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 117 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NDB · X-ray structure of a mutant (T61D) of calexcitin - a neuronal calcium-signalling protein · 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 O76764
- Elsewhere: RCSB PDB 4NDB · PDBe 4NDB · UniProt O76764
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