Research workbench
The crystal structure of flavohemoglobin from R. eutrophus in complex with miconazole
Analyse The crystal structure of flavohemoglobin from R. eutrophus in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OZU
- Type
- protein
- Length
- 403 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavohemoprotein
- EC
- 1.14.12.17
- UniProt
- P39662
- Ligands
- HEM, FAD, X89, PO4
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavohemoprotein (EC 1.14.12.17) | protein | 403 | 44% helix, 19% strand | P39662 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- X89 · 1-[(2R)-2-[(2,4-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 788 | 0.82 | 0.85 | 66 | HEM, X89, PO4 |
| 2 | 158 | 0.58 | 0.82 | 23 | FAD |
| 3 | 184 | 0.46 | 0.75 | 25 | empty |
Compared structures
- 3OZU · The Crystal Structure of flavohemoglobin from R. eutrophus in complex with miconazole · the same entry in another collection · chain A against A, TM-score 1.00
- P39662 · AlphaFold monomer V2.0 prediction for flavohemoprotein (P39662) · a predicted model of the same protein · chain A against A, TM-score 0.77
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 P39662
- Elsewhere: RCSB PDB 3OZU · PDBe 3OZU · UniProt P39662
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