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MolNFT v1 · #62487 · protein + RNA

Crystal structure of an in vitro evolved tetracycline aptamer and artificial riboswitch

3EGZ · U1 small nuclear ribonucleoprotein a: “Crystal structure of an in vitro evolved tetracycline aptamer and artificial riboswitch”. X-ray diffraction, 2 ligands (CTC, MG), 4 pockets (best druggability 0.67). MolNFT v1 #62487 on…

PDB
3EGZ
Type
protein + RNA
Length
156 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U1 small nuclear ribonucleoprotein a; Tetracycline aptamer and artificial riboswitch
UniProt
P09012
Ligands
CTC, MG
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AU1 small nuclear ribonucleoprotein aprotein9133% helix, 26% strandP09012
BTetracycline aptamer and artificial riboswitchrna65——

Ligands and binding sites

  • CTC · 7-chlorotetracycline · ligand · chains B
  • MG · Magnesium ion · metal · 12 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16660.670.7738MG
22570.490.7520MG
31540.400.7418MG
4840.340.7512CTC, MG

Interfaces

1 interface between chains.

  • A–B · 974 Ų buried · 29 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 3EGZ · Crystal structure of an in vitro evolved tetracycline aptamer and artificial riboswitch · the same entry in another collection · chain A against A, TM-score 1.00

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