MolNFT v1 · #190203 · protein

A novel chemical DERIVATIVE(85) of thrb agonist

7WML: “A novel chemical DERIVATIVE(85) of thrb agonist”. X-ray diffraction, 1 ligand (9IQ). MolNFT v1 #190203 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7WML
Type: protein
Length: 239 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P10828, Q15596
Ligands: 9IQ

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	228	—	P10828
B	—	protein	11	—	Q15596

Ligands and binding sites

9IQ · 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid · ligand · chains A

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

Compared structures

7WML · A novel chemical derivative(85) of THRB agonist · the same entry in another collection · chain A against A, TM-score 1.00
P10828 · AlphaFold monomer V2.0 prediction for thyroid hormone receptor beta (P10828) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P10828
Every structure of UniProt Q15596
Elsewhere: RCSB PDB 7WML · PDBe 7WML · UniProt P10828 · UniProt Q15596

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