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Crystal structure of the A24U/U25A/A46G/C74U mutant xpt-pbux guanine riboswitch aptamer domain in complex with 2,6-diaminopurine

Analyse Crystal structure of the A24U/U25A/A46G/C74U mutant xpt-pbux guanine riboswitch… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4FEP
Type: RNA
Length: 67 nucleotides
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: A24U/U25A/A46G/C74U mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain
Ligands: NCO, 6AP
Pockets: 2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	A24U/U25A/A46G/C74U mutant of the B. subtilis xpt-pbux guanine riboswitch aptamer domain	rna	67	—	—

Ligands and binding sites

NCO · Cobalt hexammine(iii) · ligand · 9 copies · chains B
6AP · 9H-purine-2,6-diamine · ligand · chains B

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

Pockets

2 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	887	0.71	0.77	37	NCO
2	187	0.41	0.73	17	empty

Compared structures

4FEP · Crystal structure of the A24U/U25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer… · the same entry in another collection · chain B against B, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 4FEP · PDBe 4FEP

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