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The structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase

Analyse The structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5J55
Type: protein
Length: 480 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carotenoid oxygenase
UniProt: Q2GA76
Ligands: V55, FE, OXY
Pockets: 5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carotenoid oxygenase	protein	480	10% helix, 40% strand	Q2GA76

Ligands and binding sites

V55 · 4-hydroxy-3-methoxybenzaldehyde · ligand · chains A
FE · Fe (III) ion · metal · chains A
OXY · Oxygen molecule · ion · chains A
PGE · Triethylene glycol · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	498	0.75	0.83	48	OXY, V55
2	396	0.73	0.84	48	empty
3	50	0.66	0.96	25	empty
4	151	0.48	0.77	29	empty
5	80	0.37	0.76	18	empty

Compared structures

5J55 · The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase · 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 Q2GA76
Elsewhere: RCSB PDB 5J55 · PDBe 5J55 · UniProt Q2GA76

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