MolNFT v1 · #123994 · protein
Crystal structure of reduced shewanella yellow enzyme 4 (SYE4) in complex with the hydride meisenheimer complex of trinitrophenol
5K1U · NAD(P)H:FLAVIN oxidoreductase SYE4: “Crystal structure of reduced shewanella yellow enzyme 4 (SYE4) in complex with the hydride meisenheimer…”. X-ray diffraction, 2 ligands (TNF, FMN), 1 pocket (best druggability 0.68). MolNFT v1…
- PDB
- 5K1U
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD(P)H:FLAVIN oxidoreductase SYE4
- EC
- 1.5.1.30
- UniProt
- Q8EBV3
- Ligands
- TNF, FMN
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD(P)H:FLAVIN oxidoreductase SYE4 (EC 1.5.1.30) | protein | 348 | 39% helix, 16% strand | Q8EBV3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 469 | 0.68 | 0.79 | 50 | FMN, TNF |
Compared structures
- 5K1U · Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) in complex with the… · 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 Q8EBV3
- Elsewhere: RCSB PDB 5K1U · PDBe 5K1U · UniProt Q8EBV3
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