MolNFT v1 · #172187 · protein
Crystal structure of the cys-ser mutant of the cpyfp-based biosensor for hypochlorous acid
6ZUI · Hth-type transcriptional repressor NEMR,GREEN fluorescent…: “Crystal structure of the cys-ser mutant of the cpyfp-based biosensor for hypochlorous acid”. X-ray diffraction, 1 ligand (CR2), 4 pockets (best druggability 0.71). MolNFT…
- PDB
- 6ZUI
- Type
- protein
- Length
- 420 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional repressor NEMR,GREEN fluorescent PROTEIN,GREEN fluorescent…
- UniProt
- P67430, P42212
- Ligands
- CR2
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional repressor NEMR,GREEN fluorescent PROTEIN,GREEN fluorescent PROTEIN,HTH-type transcriptional repressor nemr | protein | 420 | 37% helix, 29% strand | P67430, P42212 |
Ligands and binding sites
- CR2 · {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.71 | 0.98 | 20 | CR2 |
| 2 | 334 | 0.56 | 0.75 | 33 | empty |
| 3 | 86 | 0.33 | 0.74 | 14 | empty |
| 4 | 53 | 0.32 | 0.78 | 16 | empty |
Modifications
Observed in the structure: 2 cofactor (chromophore).
Compared structures
- 6ZUI · Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid · the same entry in another collection · chain A against A, TM-score 1.00
- P67430 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor nemr (P67430) · a predicted model of the same protein · chain A against A, TM-score 0.44
- P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain A against A, TM-score 0.34
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 P67430
- Every structure of UniProt P42212
- Elsewhere: RCSB PDB 6ZUI · PDBe 6ZUI · UniProt P67430 · UniProt P42212
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