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Mycobacterium tuberculosis transcription initiation complex with ecf sigma factor sigma H and 6NT RNA

Analyse Mycobacterium tuberculosis transcription initiation complex with ecf sigma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6JCX
Type
protein + DNA + RNA
Length
3,153 residues
Chains
9
Method
x-ray diffraction
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
P9WGZ1, P9WGY9, P9WGY7, P9WGY5, P9WGH9
Ligands
ZN, MG
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 9 distinct chains · 36% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein21919% helix, 41% strandP9WGZ1
BDNA-directed RNA polymerase subunit alpha (EC 2.7.7.6)protein23220% helix, 38% strandP9WGZ1
CDNA-directed RNA polymerase subunit beta (EC 2.7.7.6)protein113826% helix, 26% strandP9WGY9
DDNA-directed RNA polymerase subunit beta' (EC 2.7.7.6)protein125845% helix, 15% strandP9WGY7
EDNA-directed RNA polymerase subunit omega (EC 2.7.7.6)protein7152% helix, 6% strandP9WGY5
FEcf RNA polymerase sigma factor sighprotein18672% helix, 2% strandP9WGH9
HDNA (5'- D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*T)-3')dna20——
GDNA (5'- D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP* a)-3')dna23——
IRNA (5'-R(*CP*CP*UP*CP*GP*A)-3')rna6——

Ligands and binding sites

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

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
17180.850.8950empty
28540.850.87108empty
34270.830.9156empty
411280.820.83107empty
54030.810.8961empty

Interfaces

20 interfaces between chains.

  • C–D · 9046 Ų buried · 113 hydrogen bonds · protein-protein
  • C–F · 2626 Ų buried · 29 hydrogen bonds · protein-protein
  • D–F · 2218 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 2198 Ų buried · 19 hydrogen bonds · protein-protein
  • D–E · 2128 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 6JCX · Mycobacterium tuberculosis transcription initiation complex with ECF sigma factor sigma H… · the same entry in another collection · chain I against I, TM-score 1.00
  • P9WGY9 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (P9WGY9) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P9WGY5 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit omega (P9WGY5) · a predicted model of the same protein · chain E against A, TM-score 0.97
  • P9WGY7 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta' (P9WGY7) · a predicted model of the same protein · chain D against A, TM-score 0.92

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