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EM structure of the DNA wrapping in bacterial open transcription initiation complex

Analyse EM structure of the DNA wrapping in bacterial open transcription initiation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N4C
Type
protein + DNA
Length
4,161 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase sigma factor rpod; DNA-directed RNA polymerase subunit beta; DNA-directed…
EC
2.7.7.6
UniProt
P00579, A0A0A0GWV9, A0A369F490, P0A7Z4, P0A800
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 8 distinct chains · 33% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
FRNA polymerase sigma factor rpodprotein55860% helix, 0% strandP00579
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134128% helix, 21% strandA0A0A0GWV9
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein135833% helix, 16% strandA0A369F490
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein31622% helix, 19% strandP0A7Z4
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein31014% helix, 18% strandP0A7Z4
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein9056% helix, 0% strandP0A800
aDNA (94-mer)dna94——
bDNA (94-mer)dna94——

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18840.840.8787empty
211370.830.84117empty
35650.800.8761empty
410740.800.8297empty
57980.800.8379empty

Interfaces

20 interfaces between chains.

  • C–D · 8574 Ų buried · 172 hydrogen bonds · protein-protein
  • a–b · 4004 Ų buried · 277 hydrogen bonds · nucleic-nucleic
  • F–D · 3250 Ų buried · 81 hydrogen bonds · protein-protein
  • A–B · 3091 Ų buried · 70 hydrogen bonds · protein-protein
  • F–a · 2177 Ų buried · 53 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6N4C · EM structure of the DNA wrapping in bacterial open transcription initiation complex · the same entry in another collection · chain F against F, TM-score 1.00

Analyse

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