Research workbench
Crystal structure of a putative acetylacetone dioxygenase (MPE_A3659) from methylibium petroleiphilum PM1 at 1.50 a resolution
Analyse Crystal structure of a putative acetylacetone dioxygenase (MPE_A3659) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2O1Q
- Type
- protein
- Length
- 288 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ACETYL/PROPIONYL-CoA carboxylase, alpha subunit
- Ligands
- ZN, CL
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative ACETYL/PROPIONYL-CoA carboxylase, alpha subunit | protein | 144 | 13% helix, 49% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · chains A, B
- ACT · Acetate ion · additive · 5 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.71 | 0.94 | 24 | ZN, ACT |
| 2 | 89 | 0.70 | 0.92 | 25 | ACT |
| 3 | 117 | 0.48 | 0.79 | 21 | CL |
| 4 | 68 | 0.39 | 0.79 | 21 | ZN |
Interfaces
1 interface between chains.
- A–B · 646 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 2O1Q · Crystal structure of a putative acetylacetone dioxygenase (MPE_A3659) from methylibium… · 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
- Elsewhere: RCSB PDB 2O1Q · PDBe 2O1Q
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