MolNFT v1 · #91921 · RNA

Crystal structure of the cobalamin riboswitch regulatory element

4FRN · Cobalamin riboswitch aptamer domain: “Crystal structure of the cobalamin riboswitch regulatory element”. X-ray diffraction, 2 ligands (I2A, BA), 8 pockets (best druggability 0.62). MolNFT v1 #91921 on GenesisL1: 3D structure…

PDB: 4FRN
Type: RNA
Length: 204 nucleotides
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cobalamin riboswitch aptamer domain
Ligands: I2A, BA
Pockets: 8 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cobalamin riboswitch aptamer domain	rna	102	—	—

Ligands and binding sites

I2A · Hydroxocobalamin · ligand · 2 copies · chains A, B
BA · Barium ion · metal · 12 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	550	0.62	0.76	27	empty
2	390	0.62	0.78	25	BA
3	492	0.61	0.76	24	empty
4	357	0.59	0.78	25	BA
5	398	0.58	0.76	28	BA

Interfaces

1 interface between chains.

A–B · 15 Å² buried · 0 hydrogen bonds · nucleic-nucleic

Compared structures

4FRN · Crystal structure of the cobalamin riboswitch regulatory element · 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 4FRN · PDBe 4FRN

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