MolNFT v1 · #164725 · protein
New antiparallel dimer of aureochrome 1A lov domain mutants from phaeodactylum tricornutum
6T74 · PTAUREO1A LOV2 domain: “New antiparallel dimer of aureochrome 1A lov domain mutants from phaeodactylum tricornutum”. X-ray diffraction, 2 ligands (FMN, NA), 5 pockets (best druggability 0.69). MolNFT v1 #164725 on GenesisL1: 3D…
- PDB
- 6T74
- Type
- protein
- Length
- 281 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PTAUREO1A LOV2 domain
- UniProt
- A0A140UHJ0
- Ligands
- FMN, NA
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PTAUREO1A LOV2 domain | protein | 140 | 40% helix, 28% strand | A0A140UHJ0 |
| B | PTAUREO1A LOV2 domain | protein | 141 | 39% helix, 28% strand | A0A140UHJ0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- MLI · Malonate ion · additive · chains B
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 | 173 | 0.69 | 0.88 | 22 | FMN |
| 2 | 171 | 0.68 | 0.87 | 24 | FMN |
| 3 | 67 | 0.38 | 0.78 | 16 | GOL |
| 4 | 83 | 0.37 | 0.76 | 16 | empty |
| 5 | 57 | 0.31 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 931 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6T74 · New antiparallel dimer of aureochrome 1a LOV domain mutants from Phaeodactylum tricornutum · 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
- Every structure of UniProt A0A140UHJ0
- Elsewhere: RCSB PDB 6T74 · PDBe 6T74 · UniProt A0A140UHJ0
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