MolNFT v1 · #114047 · protein

Polyketide cyclase oac from cannabis sativa, Y72F mutant

5B0F · Olivetolic acid cyclase: “Polyketide cyclase oac from cannabis sativa, Y72F mutant”. X-ray diffraction, 3 pockets (best druggability 0.53). MolNFT v1 #114047 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5B0F
Type: protein
Length: 200 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Olivetolic acid cyclase
EC: 4.4.1.26
UniProt: I6WU39
Pockets: 3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Olivetolic acid cyclase (EC 4.4.1.26)	protein	100	38% helix, 34% strand	I6WU39

Ligands and binding sites

GOL · Glycerol · additive · chains 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	108	0.53	0.82	21	empty
2	107	0.46	0.78	16	GOL
3	64	0.28	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 1376 Å² buried · 31 hydrogen bonds · protein-protein

Compared structures

5B0F · Polyketide cyclase OAC from Cannabis sativa, Y72F mutant · 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 0.93

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 5B0F · PDBe 5B0F · UniProt I6WU39

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