MolNFT v1 · #125790 · protein
Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target
5LJI: “Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target”. X-ray diffraction, 2 ligands (FMN, CA), 4 pockets (best druggability 0.45). MolNFT v1 #125790 on GenesisL1: 3D structure…
- PDB
- 5LJI
- Type
- protein
- Length
- 290 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavodoxin
- UniProt
- A0A0B7M5W3
- Ligands
- FMN, CA
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Flavodoxin | protein | 145 | 43% helix, 23% strand | A0A0B7M5W3 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, C
- CA · Calcium ion · metal · 7 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.45 | 0.79 | 21 | FMN |
| 2 | 103 | 0.43 | 0.78 | 19 | FMN |
| 3 | 64 | 0.38 | 0.79 | 14 | empty |
| 4 | 68 | 0.38 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–C · 362 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 5LJI · Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of… · 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 A0A0B7M5W3
- Elsewhere: RCSB PDB 5LJI · PDBe 5LJI · UniProt A0A0B7M5W3
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