MolNFT v1 · #52973 · protein
Zinc substituted E COLI copper amine oxidase, a model for the precursor for 2,4,5-trihydroxyphenylalaninequinone formation
2WGQ: “Zinc substituted E COLI copper amine oxidase, a model for the precursor for…”. X-ray diffraction, 2 ligands (CA, ZN), 20 pockets (best druggability 0.87). MolNFT v1 #52973 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2WGQ
- Type
- protein
- Length
- 1,443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine oxidase
- EC
- 1.4.3.6
- UniProt
- P46883
- Ligands
- CA, ZN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amine oxidase (EC 1.4.3.6) | protein | 720 | 13% helix, 43% strand | P46883 |
| B | Amine oxidase (EC 1.4.3.6) | protein | 723 | 13% helix, 43% strand | P46883 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 707 | 0.87 | 0.91 | 73 | empty |
| 2 | 303 | 0.75 | 0.87 | 51 | empty |
| 3 | 301 | 0.75 | 0.87 | 50 | empty |
| 4 | 314 | 0.69 | 0.83 | 35 | empty |
| 5 | 618 | 0.67 | 0.77 | 64 | empty |
Interfaces
1 interface between chains.
- A–B · 7235 Ų buried · 144 hydrogen bonds · protein-protein
Compared structures
- 2WGQ · Zinc substituted E Coli Copper Amine Oxidase, a model for the precursor for… · the same entry in another collection · chain A against A, TM-score 1.00
- P46883 · AlphaFold monomer V2.0 prediction for primary amine oxidase (P46883) · a predicted model of the same protein · 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 P46883
- Elsewhere: RCSB PDB 2WGQ · PDBe 2WGQ · UniProt P46883
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