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MolNFT v1 · #118891 · protein

Chuy: an anaerobillin reductase from escherichia COLI O157:H7

5FFQ · Shuy-like protein: “Chuy: an anaerobillin reductase from escherichia COLI O157:H7”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.75). MolNFT v1 #118891 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5FFQ
Type
protein
Length
412 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Shuy-like protein
UniProt
Q8X5N4
Ligands
PO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BShuy-like proteinprotein20642% helix, 22% strandQ8X5N4

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B
  • BU1 · 1,4-butanediol · additive · chains A, B

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
110270.750.77136PO4, BU1
21090.490.8122empty

Interfaces

1 interface between chains.

  • A–B · 704 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5FFQ · ChuY: An Anaerobillin Reductase from Escherichia coli O157:H7 · the same entry in another collection · chain A against A, TM-score 1.00

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