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Crystal structure of ycgr in complex with C-di-gmp from escherichia COLI

Analyse Crystal structure of ycgr in complex with C-di-gmp from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Y6F
Type
protein
Length
226 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flagellar brake protein ycgr
UniProt
P76010
Ligands
C2E, SO4
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlagellar brake protein ycgrprotein22621% helix, 45% strandP76010

Ligands and binding sites

  • C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11760.450.7527C2E

Compared structures

  • 5Y6F · Crystal structure of YcgR in complex with c-di-GMP from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
  • P76010 · AlphaFold monomer V2.0 prediction for flagellar brake protein ycgr (P76010) · a predicted model of the same protein · chain A against A, TM-score 0.62

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