MolNFT v1 · #151921 · protein
Flavin analogue sheds light on light-oxygen-voltage domain mechanism
6I20 · AUREOCHROME1-like protein: “Flavin analogue sheds light on light-oxygen-voltage domain mechanism”. X-ray diffraction, 2 ligands (FMN, CL), 7 pockets (best druggability 0.72). MolNFT v1 #151921 on GenesisL1: 3D structure, binding…
- PDB
- 6I20
- Type
- protein
- Length
- 528 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AUREOCHROME1-like protein
- UniProt
- C5NSW6
- Ligands
- FMN, CL
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AUREOCHROME1-like protein | protein | 131 | 37% helix, 30% strand | C5NSW6 |
| B | AUREOCHROME1-like protein | protein | 133 | 38% helix, 29% strand | C5NSW6 |
| C | AUREOCHROME1-like protein | protein | 130 | 35% helix, 30% strand | C5NSW6 |
| D | AUREOCHROME1-like protein | protein | 134 | 35% helix, 30% strand | C5NSW6 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, C, B, D
- ACT · Acetate ion · additive · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.72 | 0.88 | 26 | FMN, CL |
| 2 | 205 | 0.70 | 0.87 | 29 | FMN, CL |
| 3 | 193 | 0.69 | 0.87 | 27 | FMN, CL |
| 4 | 184 | 0.69 | 0.87 | 28 | FMN, CL |
| 5 | 313 | 0.60 | 0.78 | 39 | empty |
Interfaces
3 interfaces between chains.
- B–D · 923 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 894 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 146 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6I20 · Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism · 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
- Every structure of UniProt C5NSW6
- Elsewhere: RCSB PDB 6I20 · PDBe 6I20 · UniProt C5NSW6
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