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Soluble epoxide hydrolase in complex with talinolol

Analyse Soluble epoxide hydrolase in complex with talinolol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HGV
Type
protein
Length
319 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bifunctional epoxide hydrolase 2
EC
3.3.2.10, 3.1.3.76
UniProt
P34913
Ligands
G3Q, MG
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABifunctional epoxide hydrolase 2 (EC 3.3.2.10, 3.1.3.76)protein31943% helix, 16% strandP34913

Ligands and binding sites

  • G3Q · R-Talinolol · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14020.790.8729G3Q
21870.730.8927empty

Compared structures

  • 6HGV · Soluble epoxide hydrolase in complex with talinolol · the same entry in another collection · chain A against A, TM-score 1.00

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