MolNFT v1 · #63217 · RNA

Crystal structure of the FMN riboswitch bound to FMN, cobalt hexammine soak.

3F30: “Crystal structure of the FMN riboswitch bound to FMN, cobalt hexammine soak.”. X-ray diffraction, 4 ligands (NCO, FMN, MG), 6 pockets (best druggability 0.74). MolNFT v1 #63217 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3F30
Type: RNA
Length: 109 nucleotides
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FMN riboswitch
Ligands: NCO, FMN, MG, K
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	FMN riboswitch	rna	109	—	—

Ligands and binding sites

NCO · Cobalt hexammine(iii) · ligand · 9 copies · chains X
FMN · Flavin mononucleotide · ligand · chains X
MG · Magnesium ion · metal · 8 copies · chains X
K · Potassium ion · metal · chains X

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

Pockets

6 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	780	0.74	0.80	38	FMN, MG, NCO
2	138	0.44	0.77	15	NCO
3	76	0.33	0.76	14	NCO
4	93	0.33	0.74	12	MG
5	58	0.28	0.75	9	K

Modifications

Observed in the structure: 2 modified (nucleotide modification).

Compared structures

3F30 · Crystal structure of the FMN riboswitch bound to FMN, cobalt hexammine soak. · the same entry in another collection · chain X against X, 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 3F30 · PDBe 3F30

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