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Crystal structure of a soluble variant of the monoglyceride lipase from saccharomyces cerevisiae

Analyse Crystal structure of a soluble variant of the monoglyceride lipase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZWN
Type
protein
Length
1,237 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Monoglyceride lipase
EC
3.1.1.23
UniProt
P28321
Ligands
NA, SO4, NO3
Pockets
13 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMonoglyceride lipase (EC 3.1.1.23)protein31041% helix, 17% strandP28321
BMonoglyceride lipase (EC 3.1.1.23)protein31142% helix, 17% strandP28321
C, DMonoglyceride lipase (EC 3.1.1.23)protein30841% helix, 17% strandP28321

Ligands and binding sites

  • NA · Sodium ion · metal · chains D
  • SO4 · Sulfate ion · ion · 2 copies · chains B, C
  • NO3 · Nitrate ion · ion · chains A

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

Pockets

13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.820.9536empty
22280.820.9530empty
31960.820.9633empty
43290.790.8942empty
52190.630.8333empty

Interfaces

4 interfaces between chains.

  • B–C · 800 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 589 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 442 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 31 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4ZWN · Crystal Structure of a Soluble Variant of the Monoglyceride Lipase from Saccharomyces… · the same entry in another collection · chain A against A, TM-score 1.00
  • P28321 · AlphaFold monomer V2.0 prediction for monoglyceride lipase (P28321) · a predicted model of the same protein · chain C against A, TM-score 1.00

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