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Escherichia COLI RNA polymerase SIGMA70-holoenzyme bound to upstream fork promoter DNA and microcin J25 (MCCJ25)

Analyse Escherichia COLI RNA polymerase SIGMA70-holoenzyme bound to upstream fork… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N60
Type
protein + DNA
Length
3,491 residues
Chains
9
Method
x-ray diffraction
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, Q0P6L9, Q9X2V7
Ligands
ZN, MG
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 9 distinct chains · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23119% helix, 29% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21820% helix, 32% strandP0A7Z4
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein133531% helix, 22% strandP0A8V2
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein123639% helix, 16% strandP0A8T7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7959% helix, 0% strandP0A800
FRNA polymerase sigma factor rpodprotein31867% helix, 2% strandQ0P6L9
MMicrocin J25protein210% helix, 19% strandQ9X2V7
NNon-template strand DNAdna29——
TTemplate strand DNAdna24——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • MG · Magnesium ion · metal · chains D

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
111370.850.86110empty
210230.780.80108MG
311100.770.8081empty
410200.770.7984empty
56160.760.8271empty

Interfaces

16 interfaces between chains.

  • C–D · 8500 Ų buried · 115 hydrogen bonds · protein-protein
  • D–F · 2484 Ų buried · 24 hydrogen bonds · protein-protein
  • A–C · 1919 Ų buried · 26 hydrogen bonds · protein-protein
  • C–F · 1891 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1697 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6N60 · Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA… · the same entry in another collection · chain T against T, 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 0.98
  • Q9X2V7 · AlphaFold monomer V2.0 prediction for microcin J25 (Q9X2V7) · a predicted model of the same protein · chain M against A, TM-score 0.19

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