Research workbench
Crystal structure of rsgcamp double mutant ILE80HIS/VAL116ILE in the off state (illuminated)
Analyse Crystal structure of rsgcamp double mutant ILE80HIS/VAL116ILE in the off state… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZSN
- Type
- protein
- Length
- 397 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Green fluorescent PROTEIN,GREEN fluorescent protein, calmodulin
- UniProt
- P42212, K4DIE3
- Ligands
- PIA, CA, NA
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Green fluorescent PROTEIN,GREEN fluorescent protein, calmodulin | protein | 397 | 30% helix, 31% strand | P42212, K4DIE3 |
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 · 4 copies · chains A
- NA · Sodium ion · metal · chains A
- FMT · Formic acid · additive · 6 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.80 | 0.89 | 56 | PIA |
| 2 | 265 | 0.60 | 0.79 | 50 | FMT |
| 3 | 50 | 0.35 | 0.80 | 13 | empty |
| 4 | 60 | 0.29 | 0.74 | 13 | FMT |
| 5 | 64 | 0.28 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 6ZSN · Crystal structure of rsGCaMP double mutant Ile80His/Val116Ile in the OFF state… · the same entry in another collection · chain A against A, TM-score 1.00
- P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain A against A, TM-score 0.37
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 P42212
- Every structure of UniProt K4DIE3
- Elsewhere: RCSB PDB 6ZSN · PDBe 6ZSN · UniProt P42212 · UniProt K4DIE3
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