MolNFT v1 · #147080 · RNA

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

6E1T · RNA (33-mer): “Crystal structure of a class I PREQ1 riboswitch complexed with a synthetic compound 1…”. X-ray diffraction, 2 ligands (HLV, MG), 1 pocket (best druggability 0.35). MolNFT v1 #147080 on GenesisL1: 3D structure, binding…

PDB: 6E1T
Type: RNA
Length: 33 nucleotides
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA (33-mer)
Ligands: HLV, MG
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain.

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

Ligands and binding sites

HLV · 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine · ligand · chains A
MG · Magnesium ion · metal · 4 copies · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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	58	0.35	0.79	11	HLV

Compared structures

6E1T · Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1… · 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 6E1T · PDBe 6E1T

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