Research workbench
Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase
Analyse Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6M2I
- Type
- protein
- Length
- 708 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.45
- Source
- Rhodococcus wratislaviensis
- Molecule
- Amidohydrolase
- UniProt
- A0A402C2V4, A0A402C2Q3
- Ligands
- FE, ZN, SO4
- Pockets
- 7 · best druggability 0.75
Structure
x-ray diffraction · resolution 2.45 · 2 distinct chains · 43% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amidohydrolase | protein | 354 | 43% helix, 14% strand | A0A402C2V4 |
| B | Amidohydrolase | protein | 354 | 42% helix, 11% strand | A0A402C2Q3 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains B
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 17 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.75 | 0.83 | 45 | EDO |
| 2 | 129 | 0.74 | 0.93 | 20 | empty |
| 3 | 62 | 0.56 | 0.89 | 25 | empty |
| 4 | 186 | 0.51 | 0.77 | 25 | empty |
| 5 | 144 | 0.46 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2919 Ų buried · 53 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 6M2I · Structure of the 2-aminoisobutyric acid monooxygenase hydroxylase · 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 A0A402C2V4
- Every structure of UniProt A0A402C2Q3
- Elsewhere: RCSB PDB 6M2I · PDBe 6M2I · UniProt A0A402C2V4 · UniProt A0A402C2Q3
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