MolNFT v1 · #186117 · protein
Amine dehydrogenase MATOUAMDH2 in complex with NADP+ and cyclohexylamine
7R09: “Amine dehydrogenase MATOUAMDH2 in complex with NADP+ and cyclohexylamine”. X-ray diffraction, 2 ligands (NAP, HAI), 2 pockets (best druggability 0.72). MolNFT v1 #186117 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7R09
- Type
- protein
- Length
- 344 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine dehydrogenase
- EC
- 1.4.99.3
- Ligands
- NAP, HAI
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine dehydrogenase (EC 1.4.99.3) | protein | 344 | 33% helix, 28% strand | — |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- HAI · Cyclohexylammonium ion · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 412 | 0.72 | 0.82 | 45 | NAP, HAI |
| 2 | 132 | 0.42 | 0.75 | 22 | empty |
Compared structures
- 7R09 · Amine Dehydrogenase MATOUAmDH2 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
- Elsewhere: RCSB PDB 7R09 · PDBe 7R09
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.