Research workbench
Edta monooxygenase (emoa) from chelativorans sp. BNC1
Analyse Edta monooxygenase (emoa) from chelativorans sp. BNC1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DQP
- Type
- protein
- Length
- 838 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Edta monooxygenase
- UniProt
- Q9F9T3
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Edta monooxygenase | protein | 427 | 43% helix, 13% strand | Q9F9T3 |
| B | Edta monooxygenase | protein | 411 | 41% helix, 14% strand | Q9F9T3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 994 | 0.86 | 0.87 | 124 | empty |
| 2 | 227 | 0.54 | 0.77 | 25 | empty |
| 3 | 163 | 0.49 | 0.77 | 18 | empty |
| 4 | 190 | 0.46 | 0.75 | 30 | empty |
| 5 | 97 | 0.40 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 2799 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 5DQP · EDTA monooxygenase (EmoA) from Chelativorans sp. BNC1 · 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 Q9F9T3
- Elsewhere: RCSB PDB 5DQP · PDBe 5DQP · UniProt Q9F9T3
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