MolNFT v1 · #127431 · protein
Crystal structure of the genetically-encoded green calcium indicator ntnc in its calcium bound state
5MWC: “Crystal structure of the genetically-encoded green calcium indicator ntnc in its calcium bound state”. X-ray diffraction, 2 ligands (CR2, CA), 7 pockets (best druggability 0.76). MolNFT v1 #127431 on GenesisL1: 3D structure, binding…
- PDB
- 5MWC
- Type
- protein
- Length
- 528 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genetically-encoded green calcium indicator ntnc
- Ligands
- CR2, CA
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| D | Genetically-encoded green calcium indicator ntnc | protein | 275 | 18% helix, 47% strand | — |
| A | Genetically-encoded green calcium indicator ntnc | protein | 253 | 13% helix, 50% strand | — |
Ligands and binding sites
- CR2 · {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains D, A
- CA · Calcium ion · metal · 3 copies · chains D, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.76 | 0.98 | 29 | CR2 |
| 2 | 76 | 0.73 | 0.97 | 26 | CR2 |
| 3 | 372 | 0.56 | 0.74 | 51 | empty |
| 4 | 143 | 0.45 | 0.76 | 23 | empty |
| 5 | 117 | 0.42 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- D–A · 330 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (chromophore).
Compared structures
- 5MWC · Crystal structure of the genetically-encoded green calcium indicator NTnC in its calcium… · the same entry in another collection · chain D against D, 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
- Elsewhere: RCSB PDB 5MWC · PDBe 5MWC
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.