Research workbench
Apo toluene 2,3-dioxygenase
Analyse Apo toluene 2,3-dioxygenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EQQ
- Type
- protein
- Length
- 596 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Benzene 1,2-dioxygenase subunit alpha; Benzene 1,2-dioxygenase subunit beta
- EC
- 1.14.12.11
- UniProt
- P0C618, P0C619
- Ligands
- FES, FE2
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Benzene 1,2-dioxygenase subunit alpha (EC 1.14.12.11) | protein | 416 | 29% helix, 24% strand | P0C618 |
| B | Benzene 1,2-dioxygenase subunit beta (EC 1.14.12.11) | protein | 180 | 26% helix, 34% strand | P0C619 |
Ligands and binding sites
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 | 316 | 0.68 | 0.83 | 41 | empty |
| 2 | 190 | 0.66 | 0.85 | 27 | empty |
| 3 | 278 | 0.66 | 0.82 | 36 | empty |
| 4 | 70 | 0.44 | 0.82 | 22 | empty |
| 5 | 93 | 0.38 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1874 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 3EQQ · Apo Toluene 2,3-Dioxygenase · the same entry in another collection · chain A against A, TM-score 1.00
- P0C618 · AlphaFold monomer V2.0 prediction for benzene 1,2-dioxygenase subunit alpha (P0C618) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0C619 · AlphaFold monomer V2.0 prediction for benzene 1,2-dioxygenase subunit beta (P0C619) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P0C618
- Every structure of UniProt P0C619
- Elsewhere: RCSB PDB 3EQQ · PDBe 3EQQ · UniProt P0C618 · UniProt P0C619
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