MolNFT v1 · #114041 · protein

Polyketide cyclase oac from cannabis sativa bound with olivetolic acid

5B09 · Olivetolic acid cyclase: “Polyketide cyclase oac from cannabis sativa bound with olivetolic acid”. X-ray diffraction, 1 ligand (4MX), 1 pocket (best druggability 0.53). MolNFT v1 #114041 on GenesisL1: 3D structure, binding sites and…

PDB: 5B09
Type: protein
Length: 96 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Olivetolic acid cyclase
EC: 4.4.1.26
UniProt: I6WU39
Ligands: 4MX
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Olivetolic acid cyclase (EC 4.4.1.26)	protein	96	39% helix, 30% strand	I6WU39

Ligands and binding sites

4MX · 2,4-bis(oxidanyl)-6-pentyl-benzoic acid · 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	95	0.53	0.82	15	4MX

Compared structures

5B09 · Polyketide cyclase OAC from Cannabis sativa bound with Olivetolic acid · the same entry in another collection · chain A against A, TM-score 1.00
I6WU39 · AlphaFold monomer V2.0 prediction for olivetolic acid cyclase (I6WU39) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 I6WU39
Elsewhere: RCSB PDB 5B09 · PDBe 5B09 · UniProt I6WU39

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