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E.COLI'S putrescine receptor potf complexed with putrescine

Analyse E.COLI'S putrescine receptor potf complexed with putrescine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YE0
Type
protein
Length
682 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putrescine-binding periplasmic protein
UniProt
P31133
Ligands
JFN, PUT, ONT, ONW
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, APutrescine-binding periplasmic proteinprotein34150% helix, 18% strandP31133

Ligands and binding sites

  • JFN · (2R)-1-methoxypropan-2-amine · ligand · 3 copies · chains B, A
  • PUT · 1,4-diaminobutane · ligand · 2 copies · chains B, A
  • ONT · (2~{S})-1-(2-methoxyethoxy)propan-2-amine · ligand · 2 copies · chains B, A
  • ONW · (2~{R})-1-[(2~{R})-1-(2-methoxyethoxy)propan-2-yl]oxypropan-2-amine · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18560.780.8187JFN
21520.440.7519ONW
31110.380.7420ONT
41000.380.7518empty
5550.330.7815empty

Interfaces

1 interface between chains.

  • B–A · 1107 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6YE0 · E.coli's Putrescine receptor PotF complexed with Putrescine · the same entry in another collection · chain B against B, TM-score 1.00
  • P31133 · AlphaFold monomer V2.0 prediction for putrescine-binding periplasmic protein potf (P31133) · a predicted model of the same protein · chain B against A, TM-score 1.00

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