MolNFT v2 · #203999 · protein

Small molecular stabilizer for ERalpha and 14-3-3 (1076394)

8ARR: “Small molecular stabilizer for ERalpha and 14-3-3 (1076394)”. X-ray diffraction at 1.35, 2 ligands (NK6, MG). MolNFT v2 #203999 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 8ARR
Type: protein
Length: 238 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.35
Source: Homo sapiens; SYNTHETIC CONSTRUCT
UniProt: P31947, P03372
Ligands: NK6, MG

Structure

x-ray diffraction · resolution 1.35 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	233	—	P31947
B	—	protein	5	—	P03372

Ligands and binding sites

NK6 · N-[[1-[4-azanyl-1-[(4-chlorophenyl)amino]cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide · ligand · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95
P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.92

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 P31947
Every structure of UniProt P03372
Elsewhere: RCSB PDB 8ARR · PDBe 8ARR · UniProt P31947 · UniProt P03372

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