MolNFT v1 · #151580 · protein

ETHR2 in complex with compound 5 (BDM71847)

6HS0 · Probable transcriptional regulatory protein: “ETHR2 in complex with compound 5 (BDM71847)”. X-ray diffraction, 1 ligand (GNW), 3 pockets (best druggability 0.86). MolNFT v1 #151580 on GenesisL1: 3D structure, binding sites and…

PDB: 6HS0
Type: protein
Length: 395 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable transcriptional regulatory protein
UniProt: O53623
Ligands: GNW
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable transcriptional regulatory protein	protein	194	84% helix, 0% strand	O53623
B	Probable transcriptional regulatory protein	protein	201	84% helix, 0% strand	O53623

Ligands and binding sites

GNW · 1-[(3-chlorophenyl)methyl]piperazine · ligand · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	331	0.86	0.95	46	GNW
2	168	0.82	0.97	33	GNW
3	81	0.34	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 1339 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6HS0 · EthR2 in complex with compound 5 (BDM71847) · 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 O53623
Elsewhere: RCSB PDB 6HS0 · PDBe 6HS0 · UniProt O53623

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.