MolNFT v1 · #743 · protein
Flavodoxins that are required for enzyme activation: the structure of oxidized flavodoxin from escherichia COLI at 1.8 ångströms resolution.
1AG9: “Flavodoxins that are required for enzyme activation: the structure of oxidized flavodoxin from escherichia…”. X-ray diffraction, 4 ligands (FMN, CA, NA), 3 pockets (best druggability 0.50). MolNFT v1 #743 on GenesisL1: 3D structure…
- PDB
- 1AG9
- Type
- protein
- Length
- 350 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavodoxin
- UniProt
- P61949
- Ligands
- FMN, CA, NA, CL
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flavodoxin | protein | 175 | 37% helix, 22% strand | P61949 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 107 | 0.50 | 0.81 | 24 | FMN |
| 2 | 86 | 0.50 | 0.83 | 22 | FMN |
| 3 | 87 | 0.32 | 0.73 | 18 | CL, NA |
Interfaces
1 interface between chains.
- A–B · 477 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1AG9 · Flavodoxins that are required for enzyme activation: the structure of oxidized flavodoxin… · the same entry in another collection · chain A against A, TM-score 1.00
- P61949 · AlphaFold monomer V2.0 prediction for flavodoxin 1 (P61949) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P61949
- Elsewhere: RCSB PDB 1AG9 · PDBe 1AG9 · UniProt P61949
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