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The crystal structure of a zinc finger - RNA complex reveals two modes of molecular recognition

Analyse The crystal structure of a zinc finger - RNA complex reveals two modes of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1UN6
Type
protein + RNA
Length
353 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription factor iiia; 5S ribosomal RNA
UniProt
P03001
Ligands
MG, ZN
Pockets
8 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 33% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BTranscription factor iiiaprotein8635% helix, 14% strandP03001
CTranscription factor iiiaprotein8733% helix, 11% strandP03001
DTranscription factor iiiaprotein5829% helix, 10% strandP03001
E, F5S ribosomal RNArna61——

Ligands and binding sites

  • MG · Magnesium ion · metal · 13 copies · chains B, E, C, F, D
  • ZN · Zinc ion · metal · 8 copies · chains B, C, D

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111070.790.8165MG
26560.680.7734empty
33160.520.7434MG
4850.350.7612empty
51040.350.7416MG

Interfaces

6 interfaces between chains.

  • C–E · 917 Ų buried · 24 hydrogen bonds · protein-nucleic
  • B–F · 904 Ų buried · 26 hydrogen bonds · protein-nucleic
  • B–D · 813 Ų buried · 8 hydrogen bonds · protein-protein
  • D–F · 284 Ų buried · 3 hydrogen bonds · protein-nucleic
  • C–F · 161 Ų buried · 1 hydrogen bond · protein-nucleic

Compared structures

  • 1UN6 · The crystal structure of a zinc finger - RNA complex reveals two modes of molecular… · the same entry in another collection · chain F against F, TM-score 1.00
  • P03001 · AlphaFold monomer V2.0 prediction for transcription factor iiia (P03001) · a predicted model of the same protein · chain C against A, TM-score 0.57

Analyse

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