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Crystal structure of the second StARkin domain of Lam2 in complex with ergosterol

Analyse Crystal structure of the second StARkin domain of Lam2 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YS0
Type
protein
Length
472 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.601
Source
Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Molecule
Membrane-anchored lipid-binding protein YSP2
UniProt
Q06681
Ligands
ERG
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · resolution 2.601 · 3 distinct chains · 28% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMembrane-anchored lipid-binding protein YSP2protein16026% helix, 41% strandQ06681
BMembrane-anchored lipid-binding protein YSP2protein16429% helix, 41% strandQ06681
CMembrane-anchored lipid-binding protein YSP2protein14827% helix, 36% strandQ06681

Ligands and binding sites

  • ERG · Ergosterol · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14180.750.8446ERG
23740.730.8446ERG
35470.710.8059empty
42420.540.7724empty
51040.400.7618empty

Interfaces

2 interfaces between chains.

  • A–B · 529 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 373 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5YS0 · Crystal structure of the second starkin domain of LAM2 in complex with ergosterol · the same entry in another collection · chain A against A, TM-score 1.00
  • Q06681 · AlphaFold monomer V2.0 prediction for membrane-anchored lipid-binding protein YSP2… · a predicted model of the same protein · chain B against A, TM-score 0.98

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