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Cryoem structure of E.COLI RNA polymerase paused elongation complex without RNA hairpin bound to nusa

Analyse Cryoem structure of E.COLI RNA polymerase paused elongation complex without RNA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FLP
Type
protein + DNA + RNA
Length
3,264 residues
Chains
8
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
Ligands
ZN, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 8 distinct chains · 32% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22922% helix, 31% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21719% helix, 27% strandP0A7Z4
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein131430% helix, 19% strandP0A8V2
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133435% helix, 14% strandP0A8T7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein9068% helix, 0% strandP0A800
NDNA (30-mer)dna31——
RRNA (5'-R(P*GP*AP*UP*GP*UP*GP*UP*GP*CP*U)-3')rna10——
TDNA (39-mer)dna39——

Ligands and binding sites

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

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
19890.830.8586empty
28430.830.8578empty
35000.810.8862empty
45530.810.8765empty
56880.790.8470empty

Interfaces

15 interfaces between chains.

  • C–D · 8212 Ų buried · 72 hydrogen bonds · protein-protein
  • A–C · 1817 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1661 Ų buried · 6 hydrogen bonds · protein-protein
  • N–T · 1336 Ų buried · 97 hydrogen bonds · nucleic-nucleic
  • D–E · 1201 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6FLP · CryoEM structure of E.coli RNA polymerase paused elongation complex without RNA hairpin… · 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 0.97

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