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Cryo-EM structure of pseudomonas aeruginosa rnap sigmas holoenzyme complexes with transcription factor suta (closed lobe)

Analyse Cryo-EM structure of pseudomonas aeruginosa rnap sigmas holoenzyme complexes… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7XL4
Type
protein
Length
3,479 residues
Chains
7
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
O52760, Q51561, Q9HWC9, Q9HTM1, Q9HTR9, P45684
Ligands
ZN, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 7 distinct chains · 32% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22520% helix, 34% strandO52760
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21219% helix, 33% strandO52760
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein132427% helix, 21% strandQ51561
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133932% helix, 15% strandQ9HWC9
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7054% helix, 0% strandQ9HTM1
GTranscriptional factor sutaprotein3161% helix, 6% strandQ9HTR9
FRNA polymerase sigma factor rposprotein27863% helix, 0% strandP45684

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
110060.840.85104empty
210760.800.82115empty
310870.800.81110empty
410800.790.80126empty
511930.780.8083empty

Interfaces

10 interfaces between chains.

  • C–D · 8016 Ų buried · 67 hydrogen bonds · protein-protein
  • D–F · 2173 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 1819 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 1792 Ų buried · 20 hydrogen bonds · protein-protein
  • C–F · 1298 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7XL4 · Cryo-EM structure of Pseudomonas aeruginosa RNAP sigmaS holoenzyme complexes with… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q51561 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (Q51561) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • Q9HWC9 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (Q9HWC9) · a predicted model of the same protein · chain D against A, TM-score 0.92
  • O52760 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (O52760) · a predicted model of the same protein · chain A against A, TM-score 0.90
  • P45684 · AlphaFold monomer V2.0 prediction for RNA polymerase sigma factor rpos (P45684) · a predicted model of the same protein · chain F against A, TM-score 0.87

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