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MolNFT v1 · #26360 · protein + RNA

Structure of the hutp antitermination complex bound to a single stranded region of hut mRNA

1WMQ · 5'-R(P*UP*UP*UP*AP*GP*UP*U)-3': “Structure of the hutp antitermination complex bound to a single stranded region of hut mRNA”. X-ray diffraction, 2 ligands (HIS, MG), 4 pockets (best druggability 0.39). MolNFT v1 #26360 on…

PDB
1WMQ
Type
protein + RNA
Length
300 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-R(P*UP*UP*UP*AP*GP*UP*U)-3'; Hut operon positive regulatory protein
UniProt
P10943
Ligands
HIS, MG
Pockets
4 · best druggability 0.39

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, D5'-R(P*UP*UP*UP*AP*GP*UP*U)-3'rna7——
AHut operon positive regulatory proteinprotein14341% helix, 31% strandP10943
BHut operon positive regulatory proteinprotein14338% helix, 31% strandP10943

Ligands and binding sites

  • HIS · Histidine · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.390.7622empty
2910.360.7517empty
3670.260.7117MG, HIS
4600.240.7116MG, HIS

Interfaces

3 interfaces between chains.

  • A–B · 1278 Ų buried · 16 hydrogen bonds · protein-protein
  • C–A · 723 Ų buried · 20 hydrogen bonds · protein-nucleic
  • D–B · 693 Ų buried · 21 hydrogen bonds · protein-nucleic

Compared structures

  • 1WMQ · Structure of the HutP antitermination complex bound to a single stranded region of hut… · the same entry in another collection · chain C against C, TM-score 1.00
  • P10943 · AlphaFold monomer V2.0 prediction for hut operon positive regulatory protein (P10943) · a predicted model of the same protein · chain B against A, TM-score 1.00

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