MolNFT v1 · #151436 · protein
Structure of nitrincola lacisaponensis flavin-containing monooxygenase (fmo) in complex with FAD and NADP+
6HNS · Small molecule metabolism: “Structure of nitrincola lacisaponensis flavin-containing monooxygenase (fmo) in complex with FAD and NADP+”. X-ray diffraction, 3 ligands (FAD, NAP, MG), 6 pockets (best druggability 0.84). MolNFT v1…
- PDB
- 6HNS
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Small molecule metabolism
- UniProt
- A0A063Y6V3
- Ligands
- FAD, NAP, MG
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Small molecule metabolism | protein | 443 | 33% helix, 21% strand | A0A063Y6V3 |
| B | Small molecule metabolism | protein | 442 | 32% helix, 21% strand | A0A063Y6V3 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 974 | 0.84 | 0.85 | 108 | FAD, NAP, MG |
| 2 | 1024 | 0.84 | 0.85 | 103 | FAD, NAP, MG |
| 3 | 178 | 0.61 | 0.83 | 28 | empty |
| 4 | 250 | 0.55 | 0.77 | 34 | empty |
| 5 | 75 | 0.44 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 388 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6HNS · Structure of Nitrincola lacisaponensis flavin-containing monooxygenase (FMO) in complex… · 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 A0A063Y6V3
- Elsewhere: RCSB PDB 6HNS · PDBe 6HNS · UniProt A0A063Y6V3
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