MolNFT v1 · #163833 · protein
Crystal structure of ancestral flavin-containing monooxygenase (fmo) 5
6SEK · Ancestral flavin-containing monooxygenase 5: “Crystal structure of ancestral flavin-containing monooxygenase (fmo) 5”. X-ray diffraction, 3 ligands (FAD, NAP, GLC), 8 pockets (best druggability 0.90). MolNFT v1 #163833 on GenesisL1…
- PDB
- 6SEK
- Type
- protein
- Length
- 1,008 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral flavin-containing monooxygenase 5
- Ligands
- FAD, NAP, GLC
- Pockets
- 8 · best druggability 0.90
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ancestral flavin-containing monooxygenase 5 | protein | 504 | 37% helix, 19% strand | — |
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
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
- LMT · Dodecyl-beta-D-maltoside · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1052 | 0.90 | 0.91 | 107 | FAD, NAP, EPE |
| 2 | 1175 | 0.89 | 0.90 | 118 | FAD, NAP, EPE |
| 3 | 823 | 0.77 | 0.81 | 99 | empty |
| 4 | 179 | 0.74 | 0.90 | 28 | empty |
| 5 | 194 | 0.69 | 0.87 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 2345 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 6SEK · Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 5 · 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
- Elsewhere: RCSB PDB 6SEK · PDBe 6SEK
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