MolNFT v1 · #133706 · protein

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

5S8I · PH-interacting protein: “Xchem group deposition -- crystal structure of the second bromodomain of pleckstrin homology domain…”. X-ray diffraction, 1 ligand (2LY), 1 pocket (best druggability 0.53). MolNFT v1 #133706 on GenesisL1: 3D…

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).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PH-interacting protein	protein	119	70% helix, 0% strand	Q8WWQ0

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.53	0.82	20	2LY

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

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 5S8I · PDBe 5S8I · UniProt Q8WWQ0

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