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Cryo-EM structure of an Escherichia coli RNAP-promoter open complex (RPo) with SspA

Analyse Cryo-EM structure of an Escherichia coli RNAP-promoter open complex (RPo) with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C97
Type
protein + DNA
Length
4,275 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.68
Source
Escherichia coli; Escherichia coli (strain K12); SYNTHETIC CONSTRUCT
Molecule
DNA (63-mer); Stringent starvation protein A; DNA-directed RNA polymerase subunit alpha…
EC
2.5.1.18, 2.7.7.6
UniProt
H4IXP2, F4VJT6, P0A8V2, M9GTE2, T9C803, Q0P6L9
Ligands
ZN, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · resolution 3.68 · 11 distinct chains · 32% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HDNA (63-mer)dna63——
IStringent starvation protein A (EC 2.5.1.18)protein20650% helix, 2% strandH4IXP2
JStringent starvation protein A (EC 2.5.1.18)protein20150% helix, 6% strandH4IXP2
KDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein6745% helix, 0% strandF4VJT6
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23020% helix, 30% strandF4VJT6
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22618% helix, 24% strandF4VJT6
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134024% helix, 19% strandP0A8V2
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein134328% helix, 12% strandM9GTE2
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7953% helix, 0% strandT9C803
FRNA polymerase sigma factor RpoDprotein47261% helix, 0% strandQ0P6L9
GDNA (63-mer)dna48——

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
19780.830.8589empty
211160.790.8193empty
36470.780.8362empty
45500.770.8465empty
511390.770.79104empty

Interfaces

24 interfaces between chains.

  • C–D · 7954 Ų buried · 67 hydrogen bonds · protein-protein
  • D–F · 2707 Ų buried · 18 hydrogen bonds · protein-protein
  • H–G · 2469 Ų buried · 185 hydrogen bonds · nucleic-nucleic
  • A–B · 2128 Ų buried · 8 hydrogen bonds · protein-protein
  • C–F · 2115 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 7C97 · Cryo-EM structure of an escherichia COLI rnap-promoter open complex (rpo) with sspa · the same entry in another collection · chain K against K, 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

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