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MolNFT v1 · #133042 · protein

Pandda analysis group deposition -- crystal structure of phip in complex with Z57261895

5RJU · PH-interacting protein: “Pandda analysis group deposition -- crystal structure of phip in complex with Z57261895”. X-ray diffraction, 1 ligand (O2D), 1 pocket (best druggability 0.53). MolNFT v1 #133042 on GenesisL1: 3D structure…

PDB
5RJU
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
O2D
Pockets
1 · best druggability 0.53

Structure

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

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

Ligands and binding sites

  • O2D · 2-cyclohexyl-N-(4H-1,2,4-triazol-4-yl)acetamide · 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
11060.530.8222empty

Compared structures

  • 5RJU · PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z57261895 · the same entry in another collection · chain A against A, TM-score 1.00

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