Research workbench
Crystal structure of flavin reductase hpac complexed with FAD and NAD
Analyse Crystal structure of flavin reductase hpac complexed with FAD and NAD in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ED4
- Type
- protein
- Length
- 298 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin reductase (hpac) of 4-hydroxyphenylacetate 3- monooxygenae
- EC
- 1.6.8.-
- UniProt
- Q5SJP7
- Ligands
- FAD, NAD
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flavin reductase (hpac) of 4-hydroxyphenylacetate 3- monooxygenae (EC 1.6.8.-) | protein | 149 | 15% helix, 46% strand | Q5SJP7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAD · Nicotinamide-adenine-dinucleotide · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.63 | 0.78 | 33 | FAD, NAD |
| 2 | 379 | 0.61 | 0.77 | 35 | FAD, NAD |
Interfaces
1 interface between chains.
- A–B · 2530 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 2ED4 · Crystal structure of flavin reductase HpaC complexed with FAD and NAD · the same entry in another collection · chain A against A, TM-score 1.00
- Q5SJP7 · AlphaFold monomer V2.0 prediction for 4-hydroxyphenylacetate 3-monooxygenase, reductase… · 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 Q5SJP7
- Elsewhere: RCSB PDB 2ED4 · PDBe 2ED4 · UniProt Q5SJP7
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