Research workbench
Amine dehydrogenase from cystobacter fuscus in complex with NADP+ and cyclohexylamine
Analyse Amine dehydrogenase from cystobacter fuscus in complex with NADP+ and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IAU
- Type
- protein
- Length
- 680 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine dehydrogenase
- UniProt
- S9Q235
- Ligands
- NAP, HAI
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine dehydrogenase | protein | 340 | 36% helix, 28% strand | S9Q235 |
| B | Amine dehydrogenase | protein | 340 | 36% helix, 28% strand | S9Q235 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains B
- HAI · Cyclohexylammonium ion · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.73 | 0.86 | 39 | NAP, HAI |
| 2 | 259 | 0.72 | 0.86 | 40 | empty |
| 3 | 75 | 0.38 | 0.78 | 14 | empty |
| 4 | 62 | 0.38 | 0.79 | 14 | empty |
| 5 | 52 | 0.35 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1578 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6IAU · Amine Dehydrogenase from Cystobacter fuscus in complex with NADP+ and cyclohexylamine · 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 S9Q235
- Elsewhere: RCSB PDB 6IAU · PDBe 6IAU · UniProt S9Q235
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