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Crystal structure of 2-methylisoborneol synthase from streptomyces coelicolor A3(2) in complex with MG2+ and 2-fluorogeranyl diphosphate

Analyse Crystal structure of 2-methylisoborneol synthase from streptomyces coelicolor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V1X
Type
protein
Length
311 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-methylisoborneol synthase
EC
4.2.3.-
UniProt
Q9F1Y6
Ligands
0FV, MG
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-methylisoborneol synthase (EC 4.2.3.-)protein31169% helix, 0% strandQ9F1Y6

Ligands and binding sites

  • 0FV · (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16220.730.8060MG, 0FV

Compared structures

  • 3V1X · Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2) in… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9F1Y6 · AlphaFold monomer V2.0 prediction for 2-methylisoborneol synthase (Q9F1Y6) · a predicted model of the same protein · chain A against A, TM-score 0.99

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