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SIGM28-transcription initiation complex with specific promoter at the state 2

Analyse SIGM28-transcription initiation complex with specific promoter at the state 2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PMJ
Type
protein + DNA + RNA
Length
3,564 residues
Chains
9
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
P0A7Z6, B7MIX3, P0A8T8, B7MFL0, P0AEM6
Ligands
ZN, MG
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 9 distinct chains · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23022% helix, 34% strandP0A7Z6
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22819% helix, 30% strandP0A7Z6
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134031% helix, 22% strandB7MIX3
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133735% helix, 14% strandP0A8T8
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7966% helix, 0% strandB7MFL0
FRNA polymerase sigma factor fliaprotein23962% helix, 0% strandP0AEM6
1Synthetic nontemplate strand DNA (54-mer)dna54——
2Synthetic template strand DNA (54-mer)dna54——
3Nascent RNArna3——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • MG · Magnesium ion · metal · chains D, 3

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
110460.870.88152empty
25620.860.9284empty
37860.860.89112empty
46810.840.8878empty
53860.830.9260empty

Interfaces

20 interfaces between chains.

  • C–D · 7045 Ų buried · 72 hydrogen bonds · protein-protein
  • 1–2 · 1742 Ų buried · 178 hydrogen bonds · nucleic-nucleic
  • A–B · 1736 Ų buried · 15 hydrogen bonds · protein-protein
  • C–F · 1564 Ų buried · 8 hydrogen bonds · protein-protein
  • D–F · 1500 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 6PMJ · Sigm28-transcription initiation complex with specific promoter at the state 2 · the same entry in another collection · chain 3 against 3, TM-score 1.00
  • B7MIX3 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (B7MIX3) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • P0A7Z6 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit alpha (P0A7Z6) · a predicted model of the same protein · chain B against A, TM-score 0.95
  • B7MFL0 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (B7MFL0) · a predicted model of the same protein · chain E against A, TM-score 0.91

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