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MolNFT v1 · #140425 · protein

Ferulic acid esterase from streptomyces cinnamoneus at 2.4 a resolution

5YAE: “Ferulic acid esterase from streptomyces cinnamoneus at 2.4 a resolution”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.61). MolNFT v1 #140425 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5YAE
Type
protein
Length
340 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Esterase
EC
3.1.1.73
UniProt
A0A0M4UW33
Ligands
SO4
Pockets
4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEsterase (EC 3.1.1.73)protein34035% helix, 25% strandA0A0M4UW33

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • ACT · Acetate ion · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.610.8917empty
21390.520.8023empty
31630.470.7624empty
4570.280.7413empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5YAE · Ferulic acid esterase from Streptomyces cinnamoneus at 2.4 A resolution · the same entry in another collection · chain A against A, TM-score 1.00

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