MolNFT v1 · #66739 · protein

Structure of tr-alfa bound to selective thyromimetic gc-1 in C2 space group

3HZF · Thyroid hormone receptor, alpha isoform 1 variant: “Structure of tr-alfa bound to selective thyromimetic gc-1 in C2 space group”. X-ray diffraction, 1 ligand (B72), 5 pockets (best druggability 0.82). MolNFT v1 #66739 on GenesisL1…

PDB: 3HZF
Type: protein
Length: 263 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thyroid hormone receptor, alpha isoform 1 variant
UniProt: Q59FW3
Ligands: B72
Pockets: 5 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thyroid hormone receptor, alpha isoform 1 variant	protein	263	64% helix, 5% strand	Q59FW3

Ligands and binding sites

B72 · {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid · ligand · chains A

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

Pockets

5 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	163	0.82	0.97	32	B72
2	106	0.40	0.76	21	empty
3	123	0.40	0.75	20	empty
4	96	0.36	0.75	21	empty
5	51	0.29	0.75	12	empty

Modifications

Observed in the structure: 4 modified (artifact).

Compared structures

3HZF · Structure of TR-alfa bound to selective thyromimetic GC-1 in C2 space group · 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 Q59FW3
Elsewhere: RCSB PDB 3HZF · PDBe 3HZF · UniProt Q59FW3

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