Research workbench
Crystal structure of the flavodiiron protein from giardia intestinalis
Analyse Crystal structure of the flavodiiron protein from giardia intestinalis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Q9U
- Type
- protein
- Length
- 816 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- A-type flavoprotein
- UniProt
- Q86QZ1
- Ligands
- FMN, FEO, NO3
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | A-type flavoprotein | protein | 409 | 39% helix, 22% strand | Q86QZ1 |
| B | A-type flavoprotein | protein | 407 | 40% helix, 23% strand | Q86QZ1 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- FEO · Mu-oxo-diiron · ligand · 2 copies · chains A, B
- NO3 · Nitrate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.82 | 0.83 | 82 | empty |
| 2 | 80 | 0.41 | 0.79 | 17 | FMN |
| 3 | 84 | 0.39 | 0.77 | 17 | FMN |
| 4 | 81 | 0.39 | 0.78 | 17 | empty |
| 5 | 78 | 0.38 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1949 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 2Q9U · Crystal structure of the flavodiiron protein from Giardia intestinalis · 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 Q86QZ1
- Elsewhere: RCSB PDB 2Q9U · PDBe 2Q9U · UniProt Q86QZ1
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