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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
5S9C
Type
protein
Length
119 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.14
Source
Homo sapiens
Molecule
PH-interacting protein
UniProt
Q8WWQ0
Ligands
Y0D
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · resolution 1.14 · 1 distinct chain · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APH-interacting proteinprotein11970% helix, 0% strandQ8WWQ0

Ligands and binding sites

  • Y0D · N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-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
11040.560.8420Y0D

Compared structures

  • 5S9C · Pandda analysis group deposition -- crystal structure of phip in complex with Z198194396… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8WWQ0 · AlphaFold monomer V2.0 prediction for pH-interacting protein (Q8WWQ0) · a predicted model of the same protein · chain A against A, TM-score 0.97

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