MolNFT v1 · #40803 · protein

Human thyroid hormone receptor beta ligand binding domain in complex with KB131084

2J4A · Thyroid hormone receptor beta-1: “Human thyroid hormone receptor beta ligand binding domain in complex with KB131084”. X-ray diffraction, 1 ligand (OEF), 4 pockets (best druggability 0.83). MolNFT v1 #40803 on GenesisL1: 3D…

PDB: 2J4A
Type: protein
Length: 250 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thyroid hormone receptor beta-1
UniProt: P10828
Ligands: OEF
Pockets: 4 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thyroid hormone receptor beta-1	protein	250	65% helix, 5% strand	P10828

Ligands and binding sites

OEF · 3,5-dibromo-4-(3-isopropyl-phenoxy)benzoic acid · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	167	0.83	0.98	26	OEF
2	108	0.45	0.79	20	empty
3	79	0.33	0.74	14	empty
4	65	0.28	0.73	18	empty

Compared structures

2J4A · Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084 · 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 0.97

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
Elsewhere: RCSB PDB 2J4A · PDBe 2J4A · UniProt P10828

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