MolNFT v1 · #174561 · protein

Crystal structure of plant sesterterpene synthase ATTPS18

7BZB · Terpenoid synthase 18: “Crystal structure of plant sesterterpene synthase ATTPS18”. X-ray diffraction, 2 ligands (PPV, MG), 8 pockets (best druggability 0.85). MolNFT v1 #174561 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7BZB
Type: protein
Length: 534 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Terpenoid synthase 18
EC: 4.2.3.-
UniProt: Q9LUE2
Ligands: PPV, MG
Pockets: 8 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Terpenoid synthase 18 (EC 4.2.3.-)	protein	534	73% helix, 0% strand	Q9LUE2

Ligands and binding sites

PPV · Pyrophosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	575	0.85	0.90	51	MG, PPV
2	115	0.63	0.88	26	empty
3	277	0.58	0.78	28	empty
4	193	0.56	0.79	20	empty
5	142	0.52	0.80	26	empty

Compared structures

7BZB · Crystal structure of plant sesterterpene synthase AtTPS18 · the same entry in another collection · chain A against A, TM-score 1.00
Q9LUE2 · AlphaFold monomer V2.0 prediction for terpenoid synthase 18 (Q9LUE2) · 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 Q9LUE2
Elsewhere: RCSB PDB 7BZB · PDBe 7BZB · UniProt Q9LUE2

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