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MolNFT v1 · #113537 · protein

Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. tomsk-sample-native

5AIF: “Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic…”. X-ray diffraction, 1 pocket (best druggability 0.75). MolNFT v1 #113537 on GenesisL1: 3D structure, binding sites and…

PDB
5AIF
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Limonene-1,2-epoxide hydrolase
EC
3.3.2.8
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BLimonene-1,2-epoxide hydrolase (EC 3.3.2.8)protein12431% helix, 45% strand—

Ligands and binding sites

  • IMD · Imidazole · additive · 4 copies · chains A, B

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
1810.750.9617IMD

Interfaces

1 interface between chains.

  • A–B · 990 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 5AIF · Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot… · the same entry in another collection · chain A against A, TM-score 1.00

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