MolNFT v1 · #172572 · protein
Structural determinants underlying the adduct lifetime in a short lov protein PPSB2-lov
7A6P · Putative sensory box protein: “Structural determinants underlying the adduct lifetime in a short lov protein PPSB2-lov”. X-ray diffraction, 1 ligand (FMN), 4 pockets (best druggability 0.76). MolNFT v1 #172572 on GenesisL1: 3D…
- PDB
- 7A6P
- Type
- protein
- Length
- 297 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative sensory box protein
- UniProt
- Q88JB0
- Ligands
- FMN
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative sensory box protein | protein | 149 | 43% helix, 32% strand | Q88JB0 |
| B | Putative sensory box protein | protein | 148 | 43% helix, 32% strand | Q88JB0 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
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 | 179 | 0.76 | 0.92 | 28 | FMN |
| 2 | 239 | 0.72 | 0.87 | 31 | FMN |
| 3 | 84 | 0.33 | 0.74 | 26 | empty |
| 4 | 54 | 0.26 | 0.73 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1765 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7A6P · Structural determinants underlying the adduct lifetime in a short LOV protein PpSB2-LOV · 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 Q88JB0
- Elsewhere: RCSB PDB 7A6P · PDBe 7A6P · UniProt Q88JB0
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