MolNFT v1 · #90990 · protein
Structure of the styrene monooxygenase flavin reductase (smob) from pseudomonas putida S12
4F07 · Styrene monooxygenase component 2: “Structure of the styrene monooxygenase flavin reductase (smob) from pseudomonas putida S12”. X-ray diffraction, 3 ligands (FAD, NO3, SO4), 20 pockets (best druggability 0.87). MolNFT v1 #90990 on…
- PDB
- 4F07
- Type
- protein
- Length
- 1,838 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Styrene monooxygenase component 2
- UniProt
- O33495
- Ligands
- FAD, NO3, SO4
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 11 distinct chains · 14% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Styrene monooxygenase component 2 | protein | 152 | 15% helix, 49% strand | O33495 |
| B | Styrene monooxygenase component 2 | protein | 154 | 16% helix, 48% strand | O33495 |
| C | Styrene monooxygenase component 2 | protein | 152 | 13% helix, 47% strand | O33495 |
| D | Styrene monooxygenase component 2 | protein | 153 | 13% helix, 48% strand | O33495 |
| E | Styrene monooxygenase component 2 | protein | 149 | 15% helix, 49% strand | O33495 |
| F, J | Styrene monooxygenase component 2 | protein | 155 | 14% helix, 48% strand | O33495 |
| G | Styrene monooxygenase component 2 | protein | 153 | 14% helix, 48% strand | O33495 |
| H | Styrene monooxygenase component 2 | protein | 154 | 14% helix, 48% strand | O33495 |
| I | Styrene monooxygenase component 2 | protein | 155 | 12% helix, 48% strand | O33495 |
| K | Styrene monooxygenase component 2 | protein | 155 | 12% helix, 47% strand | O33495 |
| L | Styrene monooxygenase component 2 | protein | 151 | 15% helix, 49% strand | O33495 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 12 copies · chains A, B, C, G, H, D, E, F, I, J, K, L
- NO3 · Nitrate ion · ion · 12 copies · chains A, B, C, H, D, E, G, I, J, K, L
- SO4 · Sulfate ion · ion · 3 copies · chains D, E, J, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.87 | 0.88 | 105 | FAD, NO3 |
| 2 | 991 | 0.87 | 0.88 | 114 | FAD, NO3 |
| 3 | 913 | 0.86 | 0.88 | 93 | FAD, NO3, SO4 |
| 4 | 430 | 0.75 | 0.84 | 51 | empty |
| 5 | 506 | 0.66 | 0.77 | 52 | FAD |
Interfaces
22 interfaces between chains.
- A–D · 2426 Ų buried · 19 hydrogen bonds · protein-protein
- G–H · 2422 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 2397 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 2376 Ų buried · 22 hydrogen bonds · protein-protein
- K–L · 2374 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4F07 · Structure of the Styrene Monooxygenase Flavin Reductase (SMOB) from Pseudomonas putida S12 · 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 O33495
- Elsewhere: RCSB PDB 4F07 · PDBe 4F07 · UniProt O33495
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