Research workbench
Structure of Reductive Aminase from Aspergillus terreus in complex with NADPH
Analyse Structure of Reductive Aminase from Aspergillus terreus in complex with NADPH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EOD
- Type
- protein
- Length
- 2,216 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Aspergillus terreus
- Molecule
- Reductive Aminase
- UniProt
- Q0CCT3
- Ligands
- NAP
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · resolution 2.2 · 8 distinct chains · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reductive Aminase | protein | 285 | 56% helix, 14% strand | Q0CCT3 |
| B | Reductive Aminase | protein | 284 | 56% helix, 13% strand | Q0CCT3 |
| C | Reductive Aminase | protein | 279 | 56% helix, 14% strand | Q0CCT3 |
| D | Reductive Aminase | protein | 279 | 55% helix, 14% strand | Q0CCT3 |
| F | Reductive Aminase | protein | 262 | 52% helix, 14% strand | Q0CCT3 |
| G | Reductive Aminase | protein | 263 | 54% helix, 13% strand | Q0CCT3 |
| E | Reductive Aminase | protein | 283 | 54% helix, 13% strand | Q0CCT3 |
| H | Reductive Aminase | protein | 281 | 54% helix, 14% strand | Q0CCT3 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, H, B, G, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 351 | 0.79 | 0.88 | 36 | empty |
| 2 | 440 | 0.78 | 0.86 | 46 | NAP |
| 3 | 395 | 0.76 | 0.85 | 45 | NAP |
| 4 | 424 | 0.75 | 0.85 | 46 | NAP |
| 5 | 545 | 0.74 | 0.82 | 51 | empty |
Interfaces
12 interfaces between chains.
- B–G · 4076 Ų buried · 22 hydrogen bonds · protein-protein
- A–H · 3995 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 3991 Ų buried · 26 hydrogen bonds · protein-protein
- F–E · 3692 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 377 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6EOD · Structure of reductive aminase from aspergillus terreus in complex with NADPH · 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 Q0CCT3
- Elsewhere: RCSB PDB 6EOD · PDBe 6EOD · UniProt Q0CCT3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.