Research workbench
Structure of reductive aminase from neosartorya fumigata in complex with NADP+
Analyse Structure of reductive aminase from neosartorya fumigata in complex with NADP+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SLE
- Type
- protein
- Length
- 2,198 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase, putative
- EC
- 1.1.1.31
- UniProt
- Q4WDZ8
- Ligands
- NAP
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 8 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase, putative (EC 1.1.1.31) | protein | 281 | 54% helix, 12% strand | Q4WDZ8 |
| B | Oxidoreductase, putative (EC 1.1.1.31) | protein | 261 | 54% helix, 7% strand | Q4WDZ8 |
| C | Oxidoreductase, putative (EC 1.1.1.31) | protein | 273 | 54% helix, 11% strand | Q4WDZ8 |
| D | Oxidoreductase, putative (EC 1.1.1.31) | protein | 278 | 54% helix, 13% strand | Q4WDZ8 |
| E | Oxidoreductase, putative (EC 1.1.1.31) | protein | 268 | 55% helix, 11% strand | Q4WDZ8 |
| F | Oxidoreductase, putative (EC 1.1.1.31) | protein | 280 | 52% helix, 13% strand | Q4WDZ8 |
| G | Oxidoreductase, putative (EC 1.1.1.31) | protein | 279 | 55% helix, 11% strand | Q4WDZ8 |
| H | Oxidoreductase, putative (EC 1.1.1.31) | protein | 278 | 53% helix, 13% strand | Q4WDZ8 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 8 copies · chains A, B, C, H, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1089 | 0.80 | 0.81 | 119 | NAP |
| 2 | 429 | 0.78 | 0.87 | 56 | empty |
| 3 | 338 | 0.77 | 0.88 | 45 | empty |
| 4 | 346 | 0.77 | 0.87 | 42 | NAP |
| 5 | 353 | 0.77 | 0.87 | 43 | NAP |
Interfaces
14 interfaces between chains.
- F–G · 3768 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 3727 Ų buried · 14 hydrogen bonds · protein-protein
- C–H · 3688 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 3536 Ų buried · 9 hydrogen bonds · protein-protein
- D–F · 352 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6SLE · Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+ · 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 Q4WDZ8
- Elsewhere: RCSB PDB 6SLE · PDBe 6SLE · UniProt Q4WDZ8
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