Research workbench
Type II baeyer-villiger MONOOXYGENASE.THE oxygenating constituent of 3,6-diketocamphane monooxygenase from cam plasmid of pseudomonas putida in complex with FMN.
Analyse Type II baeyer-villiger MONOOXYGENASE.THE oxygenating constituent of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AEC
- Type
- protein
- Length
- 728 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3,6-diketocamphane 1,6 monooxygenase
- EC
- 1.14.13.-
- UniProt
- D7UER1
- Ligands
- PIN, SO4, CL
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3,6-diketocamphane 1,6 monooxygenase (EC 1.14.13.-) | protein | 364 | 48% helix, 15% strand | D7UER1 |
| B | 3,6-diketocamphane 1,6 monooxygenase (EC 1.14.13.-) | protein | 364 | 48% helix, 15% strand | D7UER1 |
Ligands and binding sites
- PIN · Piperazine-N,N'-bis(2-ethanesulfonic acid) · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 11 copies · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 764 | 0.76 | 0.81 | 75 | PIN, GOL, SO4, CL |
| 2 | 684 | 0.73 | 0.79 | 76 | PIN, GOL, SO4, CL |
| 3 | 187 | 0.59 | 0.82 | 28 | empty |
| 4 | 112 | 0.43 | 0.77 | 20 | GOL |
| 5 | 102 | 0.42 | 0.78 | 20 | GOL |
Interfaces
1 interface between chains.
- A–B · 3060 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5AEC · Type II Baeyer-Villiger monooxygenase.The oxygenating constituent of 3,6-diketocamphane… · the same entry in another collection · chain A against A, TM-score 1.00
- D7UER1 · AlphaFold monomer V2.0 prediction for 3,6-diketocamphane 1,6-monooxygenase (D7UER1) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 D7UER1
- Elsewhere: RCSB PDB 5AEC · PDBe 5AEC · UniProt D7UER1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.