Research workbench
Crystal structure of ancestral flavin-containing monooxygenase (fmo) 2 in the presence of NADP+
Analyse Crystal structure of ancestral flavin-containing monooxygenase (fmo) 2 in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SF0
- Type
- protein
- Length
- 2,120 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ancestral flavin-containing monooxygenase (fmo) 2
- Ligands
- FAD, NAP, MA4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, C, D | Ancestral flavin-containing monooxygenase (fmo) 2 | protein | 530 | 34% helix, 17% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains B, A, C, D
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains B, A, C, D
- MA4 · Cyclohexyl-hexyl-beta-D-maltoside · ligand · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 857 | 0.88 | 0.91 | 108 | FAD, NAP |
| 2 | 1163 | 0.87 | 0.88 | 108 | FAD, NAP |
| 3 | 1117 | 0.86 | 0.87 | 102 | FAD, NAP |
| 4 | 1187 | 0.86 | 0.87 | 107 | FAD, NAP |
| 5 | 493 | 0.83 | 0.90 | 71 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2744 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 519 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 201 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 183 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6SF0 · Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 in the presence of… · the same entry in another collection · chain B against B, 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 6SF0 · PDBe 6SF0
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