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MolNFT v1 · #155626 · protein + DNA + RNA

The cryo-EM structure of E. COLI cuer transcription activation complex

6LDI · DNA-directed RNA polymerase subunit alpha: “The cryo-EM structure of E. COLI cuer transcription activation complex”. Electron microscopy, 3 ligands (ZN, MG, AG), 20 pockets (best druggability 0.86). MolNFT v1 #155626 on GenesisL1…

PDB
6LDI
Type
protein + DNA + RNA
Length
4,027 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase subunit alpha; DNA-directed RNA polymerase subunit beta…
EC
2.7.7.6
UniProt
P0A7Z4, P0A8V2, P0A8T7, P0A800, P00579, P0A9G4
Ligands
ZN, MG, AG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 11 distinct chains · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23020% helix, 34% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22716% helix, 33% strandP0A7Z4
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein133826% helix, 21% strandP0A8V2
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133131% helix, 16% strandP0A8T7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7667% helix, 0% strandP0A800
FRNA polymerase sigma factor rpodprotein46564% helix, 1% strandP00579
1DNA (50-mer)dna50——
2DNA (50-mer)dna50——
3RNA (5'-R(*CP*UP*CP*GP*A)-3')rna5——
GHth-type transcriptional regulator cuerprotein12754% helix, 2% strandP0A9G4
HHth-type transcriptional regulator cuerprotein12862% helix, 2% strandP0A9G4

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • MG · Magnesium ion · metal · chains D, 3
  • AG · Silver ion · metal · chains H

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19080.860.8996empty
29050.840.8782empty
39280.830.8474empty
45930.820.8878empty
56110.790.8563empty

Interfaces

27 interfaces between chains.

  • C–D · 8320 Ų buried · 72 hydrogen bonds · protein-protein
  • D–F · 2768 Ų buried · 15 hydrogen bonds · protein-protein
  • C–F · 2211 Ų buried · 15 hydrogen bonds · protein-protein
  • G–H · 1997 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1984 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6LDI · The cryo-EM structure of E. coli CueR transcription activation complex · the same entry in another collection · chain H against H, TM-score 1.00
  • P0A8V2 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P0A8V2) · a predicted model of the same protein · chain C against A, TM-score 0.99

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