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MolNFT v1 · #169835 · protein

X-ray structure of the rhombohedral form of the lipase from thermomyces lanuginosa at 1.3 a resolution

6XOK: “X-ray structure of the rhombohedral form of the lipase from thermomyces lanuginosa at 1.3 a resolution”. X-ray diffraction, 3 ligands (LTV, NAG, PO4), 1 pocket (best druggability 0.55). MolNFT v1 #169835 on GenesisL1: 3D structure…

PDB
6XOK
Type
protein
Length
261 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipase
EC
3.1.1.3
UniProt
O59952
Ligands
LTV, NAG, PO4
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipase (EC 3.1.1.3)protein26135% helix, 24% strandO59952

Ligands and binding sites

  • LTV · 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • PO4 · Phosphate ion · ion · 6 copies · chains A
  • PG4 · Tetraethylene glycol · additive · 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
12330.550.7730LTV

Modifications

Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 6XOK · X-ray structure of the rhombohedral form of the lipase from Thermomyces lanuginosa at 1.3… · the same entry in another collection · chain A against A, TM-score 1.00
  • O59952 · AlphaFold monomer V2.0 prediction for lipase (O59952) · a predicted model of the same protein · chain A against A, TM-score 0.96

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