MolNFT v1 · #125920 · protein
Xena - oxidized - Y183F variant in complex with 7-hydroxycoumarin
5LNI · NADH:FLAVIN oxidoreductase: “Xena - oxidized - Y183F variant in complex with 7-hydroxycoumarin”. X-ray diffraction, 3 ligands (07L, FMN, SO4), 1 pocket (best druggability 0.63). MolNFT v1 #125920 on GenesisL1: 3D structure, binding…
- PDB
- 5LNI
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADH:FLAVIN oxidoreductase
- UniProt
- U2SJJ2
- Ligands
- 07L, FMN, SO4
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADH:FLAVIN oxidoreductase | protein | 359 | 40% helix, 17% strand | U2SJJ2 |
Ligands and binding sites
- 07L · 7-hydroxy-2H-chromen-2-one · ligand · 2 copies · chains A
- FMN · Flavin mononucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- GOL · Glycerol · additive · chains A
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 | 424 | 0.63 | 0.77 | 40 | FMN, 07L |
Compared structures
- 5LNI · XenA - oxidized - Y183F variant in complex with 7-hydroxycoumarin · 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 U2SJJ2
- Elsewhere: RCSB PDB 5LNI · PDBe 5LNI · UniProt U2SJJ2
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