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Crystal structure of (E)-biformene synthase lrdc from streptomyces sp. strain K155 in the dimeric form

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
6OH8
Type
protein
Length
611 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Labdane-related diterpene synthase
EC
4.2.3.193
UniProt
A0A158RFK9
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALabdane-related diterpene synthase (EC 4.2.3.193)protein30672% helix, 0% strandA0A158RFK9
BLabdane-related diterpene synthase (EC 4.2.3.193)protein30572% helix, 0% strandA0A158RFK9

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14920.780.8544empty
25030.760.8464PEG
36650.750.8159GOL
45900.730.8159PEG
5620.410.8121empty

Interfaces

1 interface between chains.

  • A–B · 1382 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6OH8 · Crystal structure of (E)-biformene synthase LrdC from Streptomyces sp. strain K155 in the… · the same entry in another collection · chain A against A, TM-score 1.00

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