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MolNFT v1 · #117013 · protein

High resolution crystal structure of glucose complexed periplasmic glucose binding protein (ppgbp) from P. putida CSV86

5DVI · Binding protein component of ABC sugar transporter: “High resolution crystal structure of glucose complexed periplasmic glucose binding protein (ppgbp) from P.…”. X-ray diffraction, 2 ligands (BGC, SO4), 7 pockets (best druggability…

PDB
5DVI
Type
protein
Length
792 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Binding protein component of ABC sugar transporter
UniProt
H7BRJ8
Ligands
BGC, SO4
Pockets
7 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBinding protein component of ABC sugar transporterprotein39652% helix, 14% strandH7BRJ8

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 8 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111890.780.8077SO4
22220.510.7633empty
31030.450.7815GOL
41290.450.7722empty
5770.380.7713empty

Interfaces

1 interface between chains.

  • A–B · 1020 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5DVI · High resolution crystal Structure of glucose complexed periplasmic glucose binding… · the same entry in another collection · chain A against A, TM-score 1.00

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