Research workbench
Reductive aminase from aspergillus terreus in complex with NADPH and ethyl levulinate
Analyse Reductive aminase from aspergillus terreus in complex with NADPH and ethyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EOH
- Type
- protein
- Length
- 569 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reductive aminase
- UniProt
- Q0CCT3
- Ligands
- NAP, BKQ
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reductive aminase | protein | 285 | 55% helix, 13% strand | Q0CCT3 |
| B | Reductive aminase | protein | 284 | 56% helix, 13% strand | Q0CCT3 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- BKQ · ethyl levulinate · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 391 | 0.78 | 0.87 | 44 | NAP |
| 2 | 386 | 0.77 | 0.87 | 44 | NAP, BKQ |
Interfaces
1 interface between chains.
- A–B · 4060 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 6EOH · Reductive Aminase from Aspergillus terreus in complex with NADPH and ethyl levulinate · 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 6EOH · PDBe 6EOH · UniProt Q0CCT3
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