MolNFT v1 · #93840 · protein
The crystal structure of flavodoxin from desulfovibrio gigas
4HEQ: “The crystal structure of flavodoxin from desulfovibrio gigas”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.45). MolNFT v1 #93840 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HEQ
- Type
- protein
- Length
- 290 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavodoxin
- UniProt
- Q7BPR1
- Ligands
- FMN
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flavodoxin | protein | 145 | 37% helix, 26% strand | Q7BPR1 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.45 | 0.80 | 23 | FMN |
| 2 | 91 | 0.44 | 0.79 | 22 | FMN |
Interfaces
1 interface between chains.
- A–B · 855 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4HEQ · The crystal structure of flavodoxin from Desulfovibrio gigas · 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 Q7BPR1
- Elsewhere: RCSB PDB 4HEQ · PDBe 4HEQ · UniProt Q7BPR1
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