MolNFT v1 · #136568 · protein
Protein 19 with aldehyde deformylating oxidase activity from synechococcus
5UX2 · Aldehyde decarbonylase: “Protein 19 with aldehyde deformylating oxidase activity from synechococcus”. X-ray diffraction, 1 ligand (FE), 3 pockets (best druggability 0.86). MolNFT v1 #136568 on GenesisL1: 3D structure, binding sites…
- PDB
- 5UX2
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde decarbonylase
- EC
- 4.1.99.5
- UniProt
- A3Z6M0
- Ligands
- FE
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 86% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldehyde decarbonylase (EC 4.1.99.5) | protein | 220 | 86% helix, 0% strand | A3Z6M0 |
| B | Aldehyde decarbonylase (EC 4.1.99.5) | protein | 218 | 86% helix, 0% strand | A3Z6M0 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- PPI · Propanoic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.86 | 0.97 | 33 | PPI |
| 2 | 235 | 0.85 | 0.97 | 30 | PPI |
| 3 | 359 | 0.63 | 0.78 | 48 | empty |
Interfaces
1 interface between chains.
- A–B · 377 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5UX2 · Protein 19 with aldehyde deformylating oxidase activity from Synechococcus · 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 A3Z6M0
- Elsewhere: RCSB PDB 5UX2 · PDBe 5UX2 · UniProt A3Z6M0
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