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Xchem group deposition -- crystal structure of the second bromodomain of pleckstrin homology domain interacting protein (phip) in complex with N01186D (space group C2)

Analyse Xchem group deposition -- crystal structure of the second bromodomain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5S8I
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
2LY
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

  • 2LY · N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-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
11120.530.82202LY

Compared structures

  • 5S8I · XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin… · the same entry in another collection · chain A against A, TM-score 1.00

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