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Cuer-tac without RNA

Analyse Cuer-tac without RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XH7
Type
protein + DNA
Length
4,073 residues
Chains
10
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, P00579, P0A9G4
Ligands
ZN, CU
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 9 distinct chains · 37% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23022% helix, 30% strandP0A7Z6
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein22821% helix, 34% strandP0A7Z6
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein134029% helix, 21% strandB7MIX3
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein133735% helix, 15% strandP0A8T8
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7962% helix, 0% strandB7MFL0
FRNA polymerase sigma factor rpodprotein49765% helix, 0% strandP00579
G, HHth-type transcriptional regulator cuerprotein13066% helix, 2% strandP0A9G4
1Nontemplate strand DNA (54-mer)dna54——
2Template strand DNA (54-mer)dna48——

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains D
  • CU · Copper (II) ion · metal · 2 copies · chains G, H

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
110480.840.8599empty
210340.840.85124empty
311390.840.85147empty
42160.820.9443empty
52420.800.9258empty

Interfaces

22 interfaces between chains.

  • C–D · 7704 Ų buried · 68 hydrogen bonds · protein-protein
  • D–F · 2395 Ų buried · 23 hydrogen bonds · protein-protein
  • G–H · 2242 Ų buried · 25 hydrogen bonds · protein-protein
  • C–F · 2051 Ų buried · 15 hydrogen bonds · protein-protein
  • 1–2 · 1855 Ų buried · 182 hydrogen bonds · nucleic-nucleic

Compared structures

  • 6XH7 · CueR-TAC without RNA · the same entry in another collection · chain 2 against 2, 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 0.97
  • P0A9G4 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cuer (P0A9G4) · a predicted model of the same protein · chain H against A, TM-score 0.94

Analyse

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