Research workbench
Crystal structure of Escherichia coli amine oxidase mutant I342F/E573Q
Analyse Crystal structure of Escherichia coli amine oxidase mutant I342F/E573Q in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6GRR
- Type
- protein
- Length
- 1,438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Escherichia coli
- Molecule
- Amine oxidase
- EC
- 1.4.3.-
- UniProt
- A0A2K0PX72
- Ligands
- CU, CA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · resolution 1.7 · 2 distinct chains · 13% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine oxidase (EC 1.4.3.-) | protein | 718 | 13% helix, 44% strand | A0A2K0PX72 |
| B | Amine oxidase (EC 1.4.3.-) | protein | 720 | 13% helix, 44% strand | A0A2K0PX72 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 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
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 714 | 0.87 | 0.91 | 72 | GOL |
| 2 | 247 | 0.74 | 0.88 | 41 | empty |
| 3 | 355 | 0.73 | 0.84 | 64 | empty |
| 4 | 597 | 0.68 | 0.77 | 72 | GOL |
| 5 | 309 | 0.67 | 0.82 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 7205 Ų buried · 144 hydrogen bonds · protein-protein
Compared structures
- 6GRR · Crystal structure of escherichia COLI amine oxidase mutant I342F/E573Q · 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 A0A2K0PX72
- Elsewhere: RCSB PDB 6GRR · PDBe 6GRR · UniProt A0A2K0PX72
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