MolNFT v1 · #105677 · protein
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid
4RC8 · Aldehyde decarbonylase: “Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid”. X-ray diffraction, 2 ligands (STE, FE), 2 pockets (best druggability 0.82). MolNFT v1 #105677 on GenesisL1: 3D…
- PDB
- 4RC8
- Type
- protein
- Length
- 444 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde decarbonylase
- EC
- 4.1.99.5
- UniProt
- Q54764
- Ligands
- STE, FE
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aldehyde decarbonylase (EC 4.1.99.5) | protein | 222 | 87% helix, 0% strand | Q54764 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.82 | 0.97 | 30 | STE |
| 2 | 309 | 0.76 | 0.87 | 60 | empty |
Interfaces
1 interface between chains.
- A–B · 1091 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4RC8 · Crystal structure of cyanobacterial aldehyde-deformylating oxygenase bound with fatty acid · the same entry in another collection · chain A against A, TM-score 1.00
- Q54764 · AlphaFold monomer V2.0 prediction for aldehyde decarbonylase (Q54764) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q54764
- Elsewhere: RCSB PDB 4RC8 · PDBe 4RC8 · UniProt Q54764
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