MolNFT v1 · #147081 · RNA

Crystal structure of a class I PREQ1 riboswitch complexed with a synthetic compound 2: 2-[(DIBENZO[B,D]FURAN-2-YL)OXY]-N,N- dimethylethan-1-amine

6E1U · RNA (33-mer): “Crystal structure of a class I PREQ1 riboswitch complexed with a synthetic compound 2…”. X-ray diffraction, 2 ligands (HMJ, MG), 1 pocket (best druggability 0.23). MolNFT v1 #147081 on GenesisL1: 3D structure, binding…

PDB: 6E1U
Type: RNA
Length: 32 nucleotides
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA (33-mer)
Ligands: HMJ, MG
Pockets: 1 · best druggability 0.23

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA (33-mer)	rna	32	—	—

Ligands and binding sites

HMJ · 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.23	0.73	9	MG

Compared structures

6E1U · Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 2… · 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
Elsewhere: RCSB PDB 6E1U · PDBe 6E1U

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