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Crystal structure of the outer membrane lipoprotein receptor lolb complexed with PEGMME2000

Analyse Crystal structure of the outer membrane lipoprotein receptor lolb complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1IWN
Type
protein
Length
177 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane lipoprotein lolb
UniProt
P61320
Ligands
SO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane lipoprotein lolbprotein17716% helix, 47% strandP61320

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.750.9025PG5
2520.280.7515empty

Compared structures

  • 1IWN · Crystal Structure of the Outer Membrane Lipoprotein Receptor LolB Complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P61320 · AlphaFold monomer V2.0 prediction for outer-membrane lipoprotein lolb (P61320) · a predicted model of the same protein · chain A against A, TM-score 0.98

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