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MolNFT v1 · #112519 · RNA

The structure of a pfi riboswitch bound to zmp

4ZNP: “The structure of a pfi riboswitch bound to zmp”. X-ray diffraction, 2 ligands (AMZ, MG), 7 pockets (best druggability 0.63). MolNFT v1 #112519 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4ZNP
Type
RNA
Length
139 nucleotides
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pfi riboswitch
Ligands
AMZ, MG
Pockets
7 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
APfi riboswitchrna73——
BPfi riboswitchrna66——

Ligands and binding sites

  • AMZ · Aminoimidazole 4-carboxamide ribonucleotide · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 3 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14120.630.7925empty
23450.600.7824MG
3880.370.7713AMZ
41440.360.7316empty
5890.350.7615AMZ

Interfaces

1 interface between chains.

  • A–B · 275 Ų buried · 16 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4ZNP · The structure of A pfI Riboswitch Bound to ZMP · the same entry in another collection · chain A against A, TM-score 1.00

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