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MolNFT v1 · #144860 · protein + DNA + RNA

Cryoem structure of E.COLI RNA polymerase elongation complex bound with nusg

6C6U · DNA (29-mer): “Cryoem structure of E.COLI RNA polymerase elongation complex bound with nusg”. Electron microscopy, 2 ligands (ZN, MG), 20 pockets (best druggability 0.86). MolNFT v1 #144860 on GenesisL1: 3D structure, binding sites…

PDB
6C6U
Type
protein + DNA + RNA
Length
3,334 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (29-mer); RNA (5'- R(*GP*CP*AP*UP*UP*CP*AP*AP*AP*GP*CP*CP*GP*AP*GP*AP*GP*GP*UP*A)-3')…
EC
2.7.7.6
UniProt
P0A7Z4, P0A8V2, P0A8T7, P0A800, P0AFG1
Ligands
ZN, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 9 distinct chains · 31% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (29-mer)dna22——
BDNA (29-mer)dna29——
RRNA (5'- R(*GP*CP*AP*UP*UP*CP*AP*AP*AP*GP*CP*CP*GP*AP*GP*AP*GP*GP*UP*A)-3')rna10——
GDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22121% helix, 35% strandP0A7Z4
HDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21819% helix, 32% strandP0A7Z4
IDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein131729% helix, 22% strandP0A8V2
JDNA-directed RNA polymerase beta'protein133735% helix, 16% strandP0A8T7
KDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein8265% helix, 0% strandP0A800
NTranscription TERMINATION/ANTITERMINATION protein nusgprotein9839% helix, 22% strandP0AFG1

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains J
  • MG · Magnesium ion · metal · chains R, J

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
110370.860.88110empty
29450.830.8581empty
38600.820.8576empty
49820.800.8195empty
510440.770.7996empty

Interfaces

20 interfaces between chains.

  • I–J · 8436 Ų buried · 93 hydrogen bonds · protein-protein
  • G–H · 1881 Ų buried · 9 hydrogen bonds · protein-protein
  • G–I · 1863 Ų buried · 19 hydrogen bonds · protein-protein
  • J–K · 1288 Ų buried · 17 hydrogen bonds · protein-protein
  • B–J · 1108 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 6C6U · CryoEM structure of E.coli RNA polymerase elongation complex bound with NusG · the same entry in another collection · chain N against N, 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 I against A, TM-score 0.99
  • P0AFG1 · AlphaFold monomer V2.0 prediction for transcription TERMINATION/ANTITERMINATION protein… · a predicted model of the same protein · chain N against A, TM-score 0.84

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