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Structure of peptst from coc imisx setup collected by still serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging

Analyse Structure of peptst from coc imisx setup collected by still serial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YOG
Type
protein
Length
448 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Di-or TRIPEPTIDE:H+ symporter
UniProt
Q5M4H8
Ligands
78M, PO4
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADi-or TRIPEPTIDE:H+ symporterprotein44880% helix, 1% strandQ5M4H8

Ligands and binding sites

  • 78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 20 copies · chains A
  • PO4 · Phosphate ion · ion · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16200.760.8245empty
25670.650.755878M
3560.270.7317PGE

Compared structures

  • 6YOG · Structure of PepTSt from COC IMISX setup collected by still serial crystallography on… · the same entry in another collection · chain A against A, TM-score 1.00

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