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Crystal structure of the second bromodomain of pleckstrin homology domain interacting protein (phip) in complex with 5-amino-2-benzyl-1, 3-oxazole-4-carbonitrile (sgc - diamond I04-1 fragment screening)

Analyse Crystal structure of the second bromodomain of pleckstrin homology domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5ENE
Type: protein
Length: 123 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PH-interacting protein
UniProt: Q8WWQ0
Ligands: 5Q8
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PH-interacting protein	protein	123	69% helix, 0% strand	Q8WWQ0

Ligands and binding sites

5Q8 · 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	109	0.49	0.80	18	5Q8

Compared structures

5ENE · Crystal structure of the second bromodomain of Pleckstrin homology domain interacting… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8WWQ0
Elsewhere: RCSB PDB 5ENE · PDBe 5ENE · UniProt Q8WWQ0

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