MolNFT v1 · #26358 · protein
Crystal structure of topaquinone-containing amine oxidase activated by nickel ion
1WMO · Phenylethylamine oxidase: “Crystal structure of topaquinone-containing amine oxidase activated by nickel ion”. X-ray diffraction, 1 ligand (NI), 19 pockets (best druggability 0.90). MolNFT v1 #26358 on GenesisL1: 3D structure…
- PDB
- 1WMO
- Type
- protein
- Length
- 1,240 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylethylamine oxidase
- EC
- 1.4.3.6
- UniProt
- P46881
- Ligands
- NI
- Pockets
- 19 · best druggability 0.90
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phenylethylamine oxidase (EC 1.4.3.6) | protein | 620 | 12% helix, 42% strand | P46881 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.90 | 0.91 | 147 | empty |
| 2 | 66 | 0.70 | 0.96 | 27 | empty |
| 3 | 63 | 0.67 | 0.95 | 26 | empty |
| 4 | 254 | 0.66 | 0.83 | 37 | empty |
| 5 | 293 | 0.64 | 0.81 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 6789 Ų buried · 112 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, nonstandard).
Compared structures
- 1WMO · Crystal structure of topaqui -containing amine oxidase activated by nickel ion · 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 P46881
- Elsewhere: RCSB PDB 1WMO · PDBe 1WMO · UniProt P46881
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