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Crystal structure of (E)-biformene synthase lrdc from streptomyces sp. strain K155 in complex with mg and ppi

Analyse Crystal structure of (E)-biformene synthase lrdc from streptomyces sp. strain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OH6
Type
protein
Length
311 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Labdane-related diterpene synthase
EC
4.2.3.193
UniProt
A0A158RFK9
Ligands
PPV, MG
Pockets
4 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALabdane-related diterpene synthase (EC 4.2.3.193)protein31172% helix, 0% strandA0A158RFK9

Ligands and binding sites

  • PPV · Pyrophosphate · ligand · chains A
  • MG · Magnesium ion · metal · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.800.9144PPV, MG
21270.450.7724empty
3620.390.8017empty
4540.270.7410empty

Compared structures

  • 6OH6 · Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in… · the same entry in another collection · chain A against A, TM-score 1.00

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