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Maltose-bound maltose sensor engineered by insertion of circularly permuted green fluorescent protein into E. COLI maltose binding protein at position 311

Analyse Maltose-bound maltose sensor engineered by insertion of circularly permuted… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3OSR
Type
protein
Length
1,203 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic PROTEIN,GREEN fluorescent protein
UniProt
P0AEY0, P42212
Ligands
C12, GLC
Pockets
11 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic PROTEIN,GREEN fluorescent proteinprotein60333% helix, 32% strandP0AEY0, P42212
BMaltose-binding periplasmic PROTEIN,GREEN fluorescent proteinprotein60032% helix, 32% strandP0AEY0, P42212

Ligands and binding sites

  • C12 · 2-(1-amino-2-hydroxypropyl)-4-(4-hydroxybenzyl)-1-(2-oxoethyl)-1H-imidazol-5-olate · ligand · 2 copies · chains A, B
  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.770.9528C12
23180.750.8736empty
31440.750.9329C12
44020.740.8445empty
54940.700.8063empty

Interfaces

1 interface between chains.

  • A–B · 957 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

  • 3OSR · Maltose-bound maltose sensor engineered by insertion of circularly permuted green… · the same entry in another collection · chain A against A, TM-score 1.00
  • P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain B against A, TM-score 0.24

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