MolNFT v1 · #105109 · protein

Crystal structure of the apo form of cyanobacterial aldehyde- deformylating oxygenase

4QUW · Aldehyde decarbonylase: “Crystal structure of the apo form of cyanobacterial aldehyde- deformylating oxygenase”. X-ray diffraction, 1 ligand (PL3), 1 pocket (best druggability 0.77). MolNFT v1 #105109 on GenesisL1: 3D structure…

PDB: 4QUW
Type: protein
Length: 223 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aldehyde decarbonylase
EC: 4.1.99.5
UniProt: Q54764
Ligands: PL3
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aldehyde decarbonylase (EC 4.1.99.5)	protein	223	85% helix, 0% strand	Q54764

Ligands and binding sites

PL3 · Hexadecan-1-ol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	300	0.77	0.89	49	PL3

Compared structures

4QUW · Crystal structure of the apo form of cyanobacterial aldehyde-deformylating oxygenase · 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 0.98

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 4QUW · PDBe 4QUW · UniProt Q54764

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