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Pandda analysis group deposition -- crystal structure of phip in complex with Z198194396 synthetic derivative

Analyse Pandda analysis group deposition -- crystal structure of phip in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5S9I
Type
protein
Length
119 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PH-interacting protein
UniProt
Q8WWQ0
Ligands
Y3S
Pockets
1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APH-interacting proteinprotein11967% helix, 0% strandQ8WWQ0

Ligands and binding sites

  • Y3S · (2R)-4-(3-fluorothiophene-2-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11120.510.8117Y3S

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