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Structures of the substrate-binding protein provide insights into the multiple compatible solutes binding specificities of bacillus subtilis ABC transporter opuc

Analyse Structures of the substrate-binding protein provide insights into the multiple… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PPN
Type
protein
Length
540 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycine BETAINE/CARNITINE/CHOLINE-binding protein
UniProt
O32243
Pockets
5 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGlycine BETAINE/CARNITINE/CHOLINE-binding proteinprotein27045% helix, 18% strandO32243

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111530.840.85116empty
22130.550.7823empty
32100.520.7727empty
4640.390.8015empty
5710.300.7422empty

Interfaces

1 interface between chains.

  • A–B · 965 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3PPN · Structures of the substrate-binding protein provide insights into the multiple compatible… · the same entry in another collection · chain A against A, TM-score 1.00
  • O32243 · AlphaFold monomer V2.0 prediction for glycine BETAINE/CARNITINE/CHOLINE-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.95

Analyse

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