MolNFT v1 · #32970 · protein
Mao inhibition by rasagiline analogues
2C66 · Amine oxidase (flavin-containing) B: “Mao inhibition by rasagiline analogues”. X-ray diffraction, 2 ligands (FAD, RM2), 11 pockets (best druggability 0.86). MolNFT v1 #32970 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2C66
- Type
- protein
- Length
- 993 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine oxidase (flavin-containing) B
- EC
- 1.4.3.4
- UniProt
- P27338
- Ligands
- FAD, RM2
- Pockets
- 11 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine oxidase (flavin-containing) B (EC 1.4.3.4) | protein | 499 | 39% helix, 19% strand | P27338 |
| B | Amine oxidase (flavin-containing) B (EC 1.4.3.4) | protein | 494 | 38% helix, 19% strand | P27338 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- RM2 · 4-hydroxy-N-propargyl-1(R)-aminoindan · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 759 | 0.86 | 0.89 | 101 | FAD, RM2 |
| 2 | 742 | 0.86 | 0.89 | 95 | FAD, RM2 |
| 3 | 248 | 0.56 | 0.78 | 36 | empty |
| 4 | 241 | 0.56 | 0.78 | 33 | empty |
| 5 | 83 | 0.38 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2136 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (flavinylation).
Compared structures
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 P27338
- Elsewhere: RCSB PDB 2C66 · PDBe 2C66 · UniProt P27338
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.