MolNFT v1 · #170525 · protein
Crystal structure of rsgcamp in the on state (non-illuminated)
6YA9 · Rscgamp: “Crystal structure of rsgcamp in the on state (non-illuminated)”. X-ray diffraction, 2 ligands (PIA, CA), 3 pockets (best druggability 0.80). MolNFT v1 #170525 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YA9
- Type
- protein
- Length
- 400 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rscgamp
- Ligands
- PIA, CA
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rscgamp | protein | 400 | 33% helix, 31% strand | — |
Ligands and binding sites
- PIA · [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · chains A
- CA · Calcium ion · metal · 7 copies · chains A
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 | 203 | 0.80 | 0.94 | 39 | PIA |
| 2 | 552 | 0.69 | 0.79 | 76 | CA |
| 3 | 56 | 0.27 | 0.74 | 16 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6YA9 · Crystal structure of rsGCaMP in the ON state (non-illuminated) · 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 6YA9 · PDBe 6YA9
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