Research workbench
Crystal structure of the genetically-encoded fgcamp calcium indicator in its calcium-bound state
Analyse Crystal structure of the genetically-encoded fgcamp calcium indicator in its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XU4
- Type
- protein
- Length
- 827 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fgcamp
- Ligands
- CRO, CA
- Pockets
- 12 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fgcamp | protein | 389 | 31% helix, 32% strand | — |
| B | Fgcamp | protein | 382 | 30% helix, 31% strand | — |
| E | Fgcamp | protein | 56 | 48% helix, 7% strand | — |
Ligands and binding sites
- CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 10 copies · chains A, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.85 | 0.87 | 101 | empty |
| 2 | 104 | 0.78 | 0.97 | 23 | CRO |
| 3 | 105 | 0.76 | 0.96 | 23 | CRO |
| 4 | 386 | 0.65 | 0.79 | 48 | empty |
| 5 | 138 | 0.53 | 0.81 | 22 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1165 Ų buried · 14 hydrogen bonds · protein-protein
- B–E · 720 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (chromophore).
Compared structures
- 6XU4 · Crystal structure of the genetically-encoded FGCaMP calcium indicator in its… · 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
- Elsewhere: RCSB PDB 6XU4 · PDBe 6XU4
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