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MolNFT v1 · #174793 · protein

Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellopentaose

7C6R · Sugar ABC transporter, periplasmic sugar-binding protein: “Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to…”. X-ray diffraction, 3 ligands (BGC, CL, SO4), 2 pockets (best…

PDB
7C6R
Type
protein
Length
414 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sugar ABC transporter, periplasmic sugar-binding protein
UniProt
Q53W80
Ligands
BGC, CL, SO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASugar ABC transporter, periplasmic sugar-binding proteinprotein41449% helix, 15% strandQ53W80

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 5 copies · chains A
  • CL · Chloride ion · ion · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · 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
15560.750.8264BGC, CL, EDO
2540.330.7714empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7C6R · Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a… · the same entry in another collection · chain A against A, TM-score 1.00

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