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Target structure-based discovery of small molecules that block human P53 and creb binding protein (cbp) association

Analyse Target structure-based discovery of small molecules that block human P53 and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2D82
Type: protein
Length: 121 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Creb-binding protein
EC: 2.3.1.48
UniProt: Q92793
Ligands: TTR
Pockets: 1 · best druggability 0.50

Structure

solution nmr · 1 distinct chain · 60% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Creb-binding protein (EC 2.3.1.48)	protein	121	60% helix, 0% strand	Q92793

Ligands and binding sites

TTR · 9-acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one · 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	88	0.50	0.82	20	TTR

Compared structures

2D82 · Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding… · the same entry in another collection · chain A against A, TM-score 1.00
Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 Q92793
Elsewhere: RCSB PDB 2D82 · PDBe 2D82 · UniProt Q92793

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